Geometry & MOs

Info

ID:	252197
PubChem CID:	103109747
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	1.36
Dipole, Da:	1.78
IP(EA), eV:	-8.6(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3,5-dimethylphenyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C)CC(C)NCC1=CC=CC(=C1)C

DOS

IR

Vibrations