Geometry & MOs

Info

ID:	394762
PubChem CID:	135023715
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	280.04628
ΔH_f, kcal/mol:	-210.52
Dipole, Da:	4.13
IP(EA), eV:	-8.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-bromocyclohex-2-en-1-yl]-4-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1CC(=O)CC(=O)OC)NC3=CC=CC=C23

DOS

IR

Vibrations