Geometry & MOs

Info

ID:	435045
PubChem CID:	135178647
Reduced:	ClON7H16C23 (1)
Stoich.:	ABC7D16E23 (1)
Weight, g/mol:	458.105815
ΔH_f, kcal/mol:	159.99
Dipole, Da:	6.81
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[4-(3-cyano-5-fluorophenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)C4=CN=CC(=C4)C#N)C5=NNN=N5

DOS

IR

Vibrations