Geometry & MOs

Info

ID:	149755
PubChem CID:	53789431
Reduced:	BrSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	2.63
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(cyclohexylmethylamino)ethyl]-2-(2-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(C=C(S2)Br)CO

DOS

IR

Vibrations