Geometry & MOs

Info

ID:	164012
PubChem CID:	74381395
Reduced:	FON7H22C25 (1)
Stoich.:	ABC7D22E25 (1)
Weight, g/mol:	308.140389
ΔH_f, kcal/mol:	59.31
Dipole, Da:	7.54
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloroanilino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-7-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=NC(=NC(=C2)C(=O)NCCF)NC3=CC=C(C=C3)C#N)C)C=CC#N

DOS

IR

Vibrations