Geometry & MOs

Info

ID:	30237
PubChem CID:	840933
Reduced:	ClON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	312.077789
ΔH_f, kcal/mol:	75.65
Dipole, Da:	3.09
IP(EA), eV:	-9.62(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-cyclopropylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Cl)/C#N

DOS

IR

Vibrations