Geometry & MOs

Info

ID:	263819
PubChem CID:	103400790
Reduced:	ClNSBr2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	307.139528
ΔH_f, kcal/mol:	35.53
Dipole, Da:	1.47
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations