Geometry & MOs

Info

ID:

187762

PubChem CID:

77621184

Reduced:

O2N5C22H25 (1)

Stoich.:

A2B5C22D25 (1)

Weight, g/mol:

700.422466

ΔHf, kcal/mol:

-15.95

Dipole, Da:

5.56

IP(EA), eV:

 -8.8(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]-4-oxoquinazolin-7-yl]-3-methyl-5-oxo-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide

Drug info:

PubChemData

Smile

CC(C(C)(C)O)NC1=NC=CC(=N1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations