Geometry & MOs

Info

ID:	166533
PubChem CID:	74704359
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	468.284889
ΔH_f, kcal/mol:	-70.58
Dipole, Da:	1.59
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2C(C3=C(CC(CC3=O)C4=CC=CO4)N=C2C)C5=CC=C(C=C5)O

DOS

IR

Vibrations