Geometry & MOs

Info

ID:	41865
PubChem CID:	8147412
Reduced:	O2N4C20H23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	6.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778815
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[[methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations