Geometry & MOs

Info

ID:	307882
PubChem CID:	125310417
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	374.162187
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	6.69
IP(EA), eV:	-8.6(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-chloro-2-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CNNC(=O)C2=NN=C(C2)C3=CC(=CC=C3)OC)C=CC1=O

DOS

IR

Vibrations