Geometry & MOs

Info

ID:	192720
PubChem CID:	78303994
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	548.303038
ΔH_f, kcal/mol:	-174.89
Dipole, Da:	4.07
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-tert-butyltetrazol-5-yl)-[(4-chlorophenyl)methyl-(2-phenylethyl)amino]methyl]-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1=CC=C(C=C1)NC2CC(=O)NC(=O)N2

DOS

IR

Vibrations