Geometry & MOs

Info

ID:	411619
PubChem CID:	135084451
Reduced:	ON2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	22.84
Dipole, Da:	1.33
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-methoxycarbonylhex-4-ynoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C3=C2N=CC=C3)CO

DOS

IR

Vibrations