Geometry & MOs

Info

ID:	195747
PubChem CID:	78730920
Reduced:	ClO2N4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	406.213554
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	6.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755041
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-chloro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CC2NC3CC(CCC3C(=O)N2)Cl)C

DOS

IR

Vibrations