Geometry & MOs

Info

ID:	176455
PubChem CID:	76050808
Reduced:	NO2H7C11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-7.49
Dipole, Da:	6.48
IP(EA), eV:	-9.65(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N=C3C=CC=NC3=O)C4=CC=CC=C4

DOS

IR

Vibrations