Geometry & MOs

Info

ID:	74597
PubChem CID:	48422143
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	2.69
IP(EA), eV:	-9.06(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[2-(4-phenylpiperazin-1-yl)ethylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CNC(=O)C(CC1=CC=CC=C1)NC(=O)OC)N2CCOCC2

DOS

IR

Vibrations