Geometry & MOs

Info

ID:	78343
PubChem CID:	49688537
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	0.99
IP(EA), eV:	-9.18(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2CCN(CC2)C(=O)COC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations