Geometry & MOs

Info

ID:	152277
PubChem CID:	56311173
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	9.77
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[(4-phenyloxan-4-yl)methylamino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations