Geometry & MOs

Info

ID:	192999
PubChem CID:	78335744
Reduced:	O4N6C15H22 (1)
Stoich.:	A4B6C15D22 (1)
Weight, g/mol:	495.332174
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	2.08
IP(EA), eV:	-9.5(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2C(NC(NC2=O)N)O)C3C(NC(NC3=O)N)O

DOS

IR

Vibrations