Geometry & MOs

Info

ID:	267325
PubChem CID:	103581817
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	270.97634
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	6.03
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]but-2-yn-1-amine

Drug info:

PubChemData

Smile

CNC(=O)CC1=CC=CC=C1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations