Geometry & MOs

Info

ID:	166329
PubChem CID:	74671338
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	368.163711
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	8.26
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-cyclopropyl-3-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC2=CC=CC=C2C=C(C#N)C(=O)NCC3CCCO3

DOS

IR

Vibrations