Geometry & MOs

Info

ID:	347296
PubChem CID:	127272090
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	391.150053
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	5.66
IP(EA), eV:	-8.56(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2=CN(N=C2C3CCCCC3)C

DOS

IR

Vibrations