Geometry & MOs

Info

ID:	152065
PubChem CID:	56310917
Reduced:	N3O5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	5.77
IP(EA), eV:	-8.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations