Geometry & MOs

Info

ID:	435044
PubChem CID:	135178646
Reduced:	ClFON6H16C22 (1)
Stoich.:	ABCD6E16F22 (1)
Weight, g/mol:	441.110486
ΔH_f, kcal/mol:	81.59
Dipole, Da:	4.95
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[4-(5-cyanopyridin-3-yl)-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=CC(=CN=C4)F)C5=NNN=N5

DOS

IR

Vibrations