Geometry & MOs

Info

ID:	360538
PubChem CID:	127301183
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	399.138341
ΔH_f, kcal/mol:	-101.63
Dipole, Da:	6.25
IP(EA), eV:	-8.86(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3)C

DOS

IR

Vibrations