Geometry & MOs

Info

ID:	371512
PubChem CID:	127346747
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	391.150053
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	9.09
IP(EA), eV:	-8.8(-0.03)
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-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CCC(C2)CN3CCCC3

DOS

IR

Vibrations