Geometry & MOs

Info

ID:	229628
PubChem CID:	87568232
Reduced:	NOC22H29 (1)
Stoich.:	ABC22D29 (1)
Weight, g/mol:	342.27701
ΔH_f, kcal/mol:	-13.43
Dipole, Da:	5.56
IP(EA), eV:	-9.25(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yl-3-methylundecan-4-yl)butanedioic acid

Drug info:

PubChemData

Smile

C[C@]12CCC(CC1=CC[C@@H]3[C@H]2CC[C@]4([C@H]3C(=C)C(=C)C4C#N)C)O

DOS

IR

Vibrations