Geometry & MOs

Info

ID:	265682
PubChem CID:	103538528
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	2.26
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methoxypyrrolidin-1-yl)methyl]-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)Cl)C(=O)N2CC(C(C2)OC)OC

DOS

IR

Vibrations