Geometry & MOs

Info

ID:	296191
PubChem CID:	117560231
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	246.069054
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	2.43
IP(EA), eV:	-8.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,3-dichlorophenyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(C)(C)CCO)Br

DOS

IR

Vibrations