Geometry & MOs

Info

ID:	291722
PubChem CID:	113460542
Reduced:	BrNC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	388.92715
ΔH_f, kcal/mol:	22.02
Dipole, Da:	2.49
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-methylphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC(=CC(=C2)C)Br)N)C

DOS

IR

Vibrations