Geometry & MOs

Info

ID:	267269
PubChem CID:	103581582
Reduced:	BrClNO2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	303.00255
ΔH_f, kcal/mol:	-38.4
Dipole, Da:	4.86
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]oxan-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNCC2=CC(=C(C=C2)Br)Cl)OC

DOS

IR

Vibrations