Geometry & MOs

Info

ID:	341838
PubChem CID:	127264531
Reduced:	BrH35C44 (1)
Stoich.:	AB35C44 (1)
Weight, g/mol:	372.05136
ΔH_f, kcal/mol:	189.45
Dipole, Da:	3.25
IP(EA), eV:	-8.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

Drug info:

PubChemData

Smile

CC1(C2C=C(C=CC2C3=CC=CC=C31)C4=C5C=CC(=CC5=C(C6=CC=CC=C64)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C)C)Br)C

DOS

IR

Vibrations