Geometry & MOs

Info

ID:	156815
PubChem CID:	56394462
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	5.68
IP(EA), eV:	-8.43(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylamino)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)NC2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations