Geometry & MOs

Info

ID:

320267

PubChem CID:

126659099

Reduced:

N2H40C59 (1)

Stoich.:

A2B40C59 (1)

Weight, g/mol:

391.200825

ΔHf, kcal/mol:

263.01

Dipole, Da:

0.93

IP(EA), eV:

 -8.05(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3R,4R)-4-(3-methoxyphenyl)piperidin-3-yl]amino]-2-methylquinazoline-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=CC=CC=C3N2C4=CC=C(C=C4)C5=C6C=CC=C7C6=C(C=C5)C8=CC9=C(C=C78)C(=CC1C9C=C(C2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations