Geometry & MOs

Info

ID:	267330
PubChem CID:	103581850
Reduced:	BrClNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	317.0182
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	2.67
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(C)O)NCC1=CC(=C(C=C1)Br)Cl

DOS

IR

Vibrations