Geometry & MOs

Info

ID:	75757
PubChem CID:	48423941
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	376.211055
ΔH_f, kcal/mol:	-143.97
Dipole, Da:	5.18
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations