Geometry & MOs

Info

ID:	347136
PubChem CID:	127271640
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	33.39
Dipole, Da:	6.31
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations