Geometry & MOs

Info

ID:	251192
PubChem CID:	103102091
Reduced:	BrN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	198.11907
ΔH_f, kcal/mol:	11.99
Dipole, Da:	2.89
IP(EA), eV:	-8.9(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=C(C=C(C=C1)Br)C

DOS

IR

Vibrations