Geometry & MOs

Info

ID:	133213
PubChem CID:	51494063
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	20.28
Dipole, Da:	3.81
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(N2)[C@@H]3CCCN3C(=O)C4=CC=CC=N4

DOS

IR

Vibrations