Geometry & MOs

Info

ID:	342047
PubChem CID:	127264760
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	292.083937
ΔH_f, kcal/mol:	-69.53
Dipole, Da:	6.6
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1)OCCN2C(=O)CC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations