Geometry & MOs

Info

ID:	295170
PubChem CID:	117520125
Reduced:	BrN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	365.96921
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	3.81
IP(EA), eV:	-8.62(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methanesulfonyl chloride

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC3=C(C=C2Br)OCC4(CC4)CO3)CN

DOS

IR

Vibrations