Geometry & MOs

Info

ID:	39903
PubChem CID:	8143175
Reduced:	O3N5C19H28 (1)
Stoich.:	A3B5C19D28 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-91.6
Dipole, Da:	8.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755121
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-ethylacetamide

Drug info:

PubChemData

Smile

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCC(=O)NCC

DOS

IR

Vibrations