Geometry & MOs

Info

ID:	296305
PubChem CID:	117567089
Reduced:	SN2O2C9H20 (1)
Stoich.:	AB2C2D9E20 (1)
Weight, g/mol:	242.118591
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	3.52
IP(EA), eV:	-9.42(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3-chloro-4-methoxyphenyl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CCCNC1CCS(=O)(=O)C1)N

DOS

IR

Vibrations