Geometry & MOs

Info

ID:	158717
PubChem CID:	56465189
Reduced:	O2N5C30H33 (1)
Stoich.:	A2B5C30D33 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	39.7
Dipole, Da:	6.96
IP(EA), eV:	-8.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=NN(C(=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations