Geometry & MOs

Info

ID:	210392
PubChem CID:	80798249
Reduced:	N5C16H17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	72.79
Dipole, Da:	2.67
IP(EA), eV:	-8.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylpyrrolidin-1-yl)-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC3=NC(=CN4C3=NC=C4)N

DOS

IR

Vibrations