Geometry & MOs

Info

ID:	194142
PubChem CID:	78491021
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	6.59
IP(EA), eV:	-9.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(2-methyl-1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)CN2CCCC2=O

DOS

IR

Vibrations