Geometry & MOs

Info

ID:	159814
PubChem CID:	57288778
Reduced:	PN4O9C28H59 (1)
Stoich.:	AB4C9D28E59 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-529.84
Dipole, Da:	10.06
IP(EA), eV:	-9.24(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-(2-phenylethenyl)pent-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOP(=O)(O)OCC(COCC(CO)O)OC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations