Geometry & MOs

Info

ID:	166250
PubChem CID:	74656428
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	449.267842
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	5.42
IP(EA), eV:	-9.34(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(3,5-dimethylphenoxy)-N-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(N2)CN(CC3=CC=CC=C3)C(=O)C4CCCO4

DOS

IR

Vibrations