Geometry & MOs

Info

ID:	404520
PubChem CID:	135066583
Reduced:	BrH17C21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	254.167065
ΔH_f, kcal/mol:	87.96
Dipole, Da:	2.17
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylcyclopropan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@H](C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations