Geometry & MOs

Info

ID:	196472
PubChem CID:	78836417
Reduced:	ClON8H17C19 (1)
Stoich.:	ABC8D17E19 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	130.38
Dipole, Da:	1.96
IP(EA), eV:	-9.65(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CN2N=C(N=N2)C3=CC=C(C=C3)Cl)CN4C=NC=N4

DOS

IR

Vibrations