Geometry & MOs

Info

ID:	164831
PubChem CID:	74459734
Reduced:	ON6C27H40 (1)
Stoich.:	AB6C27D40 (1)
Weight, g/mol:	490.285638
ΔH_f, kcal/mol:	1.61
Dipole, Da:	5.4
IP(EA), eV:	-9.18(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-benzyltetrazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1C)CN(CCC3=CC=CC=C3)CC4=NN=NN4C5CCCC5

DOS

IR

Vibrations