Geometry & MOs

Info

ID:	336297
PubChem CID:	127255304
Reduced:	O3N5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-19.63
Dipole, Da:	4.36
IP(EA), eV:	-8.5(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-N-[2-(1-methylindol-3-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations