Geometry & MOs

Info

ID:	244399
PubChem CID:	99350606
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	7.87
IP(EA), eV:	-8.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]2(C(=O)N(C(=O)N2)CC(=O)NC[C@H]3CCN(C3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations