Geometry & MOs

Info

ID:	287862
PubChem CID:	104296651
Reduced:	BrNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	28.42
Dipole, Da:	1.02
IP(EA), eV:	-8.87(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-methylphenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC3=C(CCC3)C=C2)NC)Br

DOS

IR

Vibrations