Geometry & MOs

Info

ID:	216582
PubChem CID:	85086453
Reduced:	NOC9H18 (1)
Stoich.:	ABC9D18 (1)
Weight, g/mol:	282.06193
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	0.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751209
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(3-methoxy-4,4-dimethylpent-1-enyl)benzene

Drug info:

PubChemData

Smile

CC1C=CC(O1)C[N+](C)(C)C

DOS

IR

Vibrations