Geometry & MOs

Info

ID:	357597
PubChem CID:	127294270
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	1.09
IP(EA), eV:	-8.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2CCCCN2C)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations