Geometry & MOs

Info

ID:	198984
PubChem CID:	79184579
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	5.55
IP(EA), eV:	-8.91(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1CN(CC1C)CCC(C(=O)N)NC2CC2

DOS

IR

Vibrations