Geometry & MOs

Info

ID:	210976
PubChem CID:	80878399
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	3.1
IP(EA), eV:	-10.19(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-propyl-3-(2-pyrrolidin-1-ylethoxy)aniline

Drug info:

PubChemData

Smile

CC1CC(CC(C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C

DOS

IR

Vibrations