Geometry & MOs

Info

ID:	291674
PubChem CID:	113459102
Reduced:	ClNC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	257.093104
ΔH_f, kcal/mol:	29.5
Dipole, Da:	5.91
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-chloro-2-nitrophenyl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C1CC1)N2C3=C(C(=CC=C3)Cl)N=C2CCCl

DOS

IR

Vibrations