Geometry & MOs

Info

ID:	296332
PubChem CID:	117569079
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	6.69
IP(EA), eV:	-8.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2,3-dimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(CCC1CNC2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations