Geometry & MOs

Info

ID:	270751
PubChem CID:	103637950
Reduced:	BrN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	2.26
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC(=C(C(=C1)Br)OC)OC)C2CC2

DOS

IR

Vibrations