Geometry & MOs

Info

ID:	411510
PubChem CID:	135084341
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	5.42
IP(EA), eV:	-9.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-(1-acetyloxyethylidene)hept-5-ynoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)CC2=CC=NC=C2)O

DOS

IR

Vibrations