Geometry & MOs

Info

ID:	336113
PubChem CID:	127255120
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	2.7
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=CC=CS4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations