Geometry & MOs

Info

ID:	170171
PubChem CID:	75205097
Reduced:	ClO2F3N4H22C23 (1)
Stoich.:	AB2C3D4E22F23 (1)
Weight, g/mol:	374.149124
ΔH_f, kcal/mol:	-159.19
Dipole, Da:	4.2
IP(EA), eV:	-9.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-oxo-3-[4-(tetrazol-1-yl)anilino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

DOS

IR

Vibrations