Geometry & MOs

Info

ID:	413559
PubChem CID:	135086508
Reduced:	BClBr2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	1.96
IP(EA), eV:	-10.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-methyl-1-(4-methylphenyl)prop-2-yn-1-imine

Drug info:

PubChemData

Smile

B(CCCCCBr)(CCCCCBr)Cl

DOS

IR

Vibrations