Geometry & MOs

Info

ID:	267267
PubChem CID:	103581580
Reduced:	BrClON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	4.45
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations