Geometry & MOs

Info

ID:	152981
PubChem CID:	56312086
Reduced:	N5O5C25H31 (1)
Stoich.:	A5B5C25D31 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	6.07
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(dimethylamino)-2-oxo-1-phenylethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations