Geometry & MOs

Info

ID:	121265
PubChem CID:	50761098
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-6.02
Dipole, Da:	7.91
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)N4CCCC4)C5=CC=C(C=C5)C

DOS

IR

Vibrations