Geometry & MOs

Info

ID:	75202
PubChem CID:	48423168
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	3.42
IP(EA), eV:	-8.34(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)OC)OCC3CC3

DOS

IR

Vibrations