Geometry & MOs

Info

ID:	182919
PubChem CID:	76955056
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	394.28718
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	0.97
IP(EA), eV:	-9.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]-6-phenylhex-2-ynyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C(C=CC1=C(C(=CC=C1)O)C=O)O)O

DOS

IR

Vibrations