Geometry & MOs

Info

ID:	171747
PubChem CID:	75422641
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	56.26
Dipole, Da:	6.0
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-3,4,4-trimethylpent-2-enamide

Drug info:

PubChemData

Smile

C1C(CN1C2=CC(=NC3=CC=CC=C32)C#N)O

DOS

IR

Vibrations