Geometry & MOs

Info

ID:	287863
PubChem CID:	104296729
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	331.09356
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	1.06
IP(EA), eV:	-8.94(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations