Geometry & MOs

Info

ID:	217472
PubChem CID:	85087872
Reduced:	BrN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	366.08306
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	7.62
IP(EA), eV:	-9.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-3-methylidenecyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C(C(=O)NC1C2=CC=CC=C2O)C#N)C3=CC(=CC=C3)Br

DOS

IR

Vibrations