Geometry & MOs

Info

ID:	287865
PubChem CID:	104296735
Reduced:	BrNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	343.03719
ΔH_f, kcal/mol:	-6.04
Dipole, Da:	2.2
IP(EA), eV:	-8.53(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)Br)C)NC

DOS

IR

Vibrations