Geometry & MOs

Info

ID:	369483
PubChem CID:	127334197
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-163.62
Dipole, Da:	2.89
IP(EA), eV:	-8.99(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(oxan-4-ylmethyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)C(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations