Geometry & MOs

Info

ID:	426590
PubChem CID:	135151124
Reduced:	ClFN4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	502.0932
ΔH_f, kcal/mol:	55.75
Dipole, Da:	6.18
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(CC1N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(=NC(=N2)Cl)NC5=CC(=CC=C5)F

DOS

IR

Vibrations