Geometry & MOs

Info

ID:	251207
PubChem CID:	103102166
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	210.153227
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	1.99
IP(EA), eV:	-8.8(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(4-fluoro-2-methylphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=C(C=CC(=C1)Cl)C

DOS

IR

Vibrations