Geometry & MOs

Info

ID:	175901
PubChem CID:	75966496
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	3.17
IP(EA), eV:	-8.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(1H-indazol-5-yl)-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCC1CN2C(=O)C3=CC=CC=C3C(=N2)CC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations