Geometry & MOs

Info

ID:	289476
PubChem CID:	104357259
Reduced:	BrNCl2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	303.00255
ΔH_f, kcal/mol:	17.89
Dipole, Da:	0.33
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-2-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Cl)C(C2=C(C(=CC=C2)Br)Cl)N

DOS

IR

Vibrations