Geometry & MOs

Info

ID:	336223
PubChem CID:	127255230
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	5.76
IP(EA), eV:	-8.22(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-4-methoxy-N-[2-(1-methylindol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NC2CCC3=CC(=C(C=C23)OC)OC)N4C=NN=N4)C

DOS

IR

Vibrations