Geometry & MOs

Info

ID:	435043
PubChem CID:	135178533
Reduced:	NO2C5H6 (4)
Stoich.:	AB2C5D6 (4)
Weight, g/mol:	434.105815
ΔH_f, kcal/mol:	-197.9
Dipole, Da:	5.95
IP(EA), eV:	-9.0(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)[N+](=O)[O-])OC(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations