Geometry & MOs

Info

ID:	281566
PubChem CID:	103914053
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	308.104003
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	6.16
IP(EA), eV:	-8.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(=O)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations