Geometry & MOs

Info

ID:	289475
PubChem CID:	104357226
Reduced:	BrNSCl2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	356.96867
ΔH_f, kcal/mol:	34.12
Dipole, Da:	1.59
IP(EA), eV:	-9.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-2-chlorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C(=CC=C1)Br)Cl)C2=C(C=CS2)Cl

DOS

IR

Vibrations