Geometry & MOs

Info

ID:	75181
PubChem CID:	48423132
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-137.97
Dipole, Da:	3.58
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(4-ethylpiperazin-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations