Geometry & MOs

Info

ID:	74516
PubChem CID:	48421985
Reduced:	O2N3C17H31 (1)
Stoich.:	A2B3C17D31 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	4.46
IP(EA), eV:	-8.5(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CCN2CCCC2)OCC3CC3

DOS

IR

Vibrations