Geometry & MOs

Info

ID:	284551
PubChem CID:	104051660
Reduced:	BrClNOSC14H15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	355.03833
ΔH_f, kcal/mol:	-5.49
Dipole, Da:	1.44
IP(EA), eV:	-9.07(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(3,5-difluorophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(C2=C(C=CS2)Cl)N)C)Br

DOS

IR

Vibrations