Geometry & MOs

Info

ID:	179541
PubChem CID:	76495633
Reduced:	NO2C25H41 (1)
Stoich.:	AB2C25D41 (1)
Weight, g/mol:	489.250181
ΔH_f, kcal/mol:	-103.0
Dipole, Da:	3.6
IP(EA), eV:	-8.7(0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-methyl-1-[[1-[(4-nitrophenyl)methyl]pyrrolidin-1-ium-1-yl]amino]-1-oxopentan-2-yl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCOC1C=C2C(CCC(=O)N2C)(C3C1C4CCCC4(CC3)C)C

DOS

IR

Vibrations