Geometry & MOs

Info

ID:	177721
PubChem CID:	76220954
Reduced:	FON2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	184.076726
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	2.54
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(CN)N)F

DOS

IR

Vibrations