Geometry & MOs

Info

ID:	52765
PubChem CID:	12015896
Reduced:	BrNSO5C15H22 (1)
Stoich.:	ABCD5E15F22 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-220.8
Dipole, Da:	2.68
IP(EA), eV:	-9.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methylphenyl)cyclohept-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(C1=CC=C(C=C1)Br)OC)S(=O)(=O)C

DOS

IR

Vibrations