Geometry & MOs

Info

ID:	67304
PubChem CID:	46506247
Reduced:	N4O7C27H28 (1)
Stoich.:	A4B7C27D28 (1)
Weight, g/mol:	522.247835
ΔH_f, kcal/mol:	-218.84
Dipole, Da:	4.54
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CCC(=O)NCC4=CC=CO4)OC)OC

DOS

IR

Vibrations