Geometry & MOs

Info

ID:	152637
PubChem CID:	56311645
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	2.38
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations