Geometry & MOs

Info

ID:	246864
PubChem CID:	103065206
Reduced:	SN4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	6.1
Dipole, Da:	3.53
IP(EA), eV:	-8.62(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-1-N-propyl-3-N-(thiolan-3-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NC2CCSC2)C(C)C)NC

DOS

IR

Vibrations