Geometry & MOs

Info

ID:	78342
PubChem CID:	49688535
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	4.33
IP(EA), eV:	-9.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations