Geometry & MOs

Info

ID:	39944
PubChem CID:	8143241
Reduced:	O4N5C19H28 (1)
Stoich.:	A4B5C19D28 (1)
Weight, g/mol:	389.206304
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	7.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755497
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CNC(=O)C[NH+](CCOC)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations