Geometry & MOs

Info

ID:	67275
PubChem CID:	46506187
Reduced:	N2O8C31H34 (1)
Stoich.:	A2B8C31D34 (1)
Weight, g/mol:	554.310435
ΔH_f, kcal/mol:	-241.7
Dipole, Da:	6.19
IP(EA), eV:	-8.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(CCC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations