Geometry & MOs

Info

ID:	406349
PubChem CID:	135077302
Reduced:	N2O2C25H38 (1)
Stoich.:	A2B2C25D38 (1)
Weight, g/mol:	296.125988
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	4.79
IP(EA), eV:	-8.08(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7,7-bis(methoxycarbonyl)-5-methyldec-4-en-9-ynoic acid

Drug info:

PubChemData

Smile

CCCCCCCC=O.CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)O

DOS

IR

Vibrations