Geometry & MOs

Info

ID:	50994
PubChem CID:	12013601
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	42.97
Dipole, Da:	5.17
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylcyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=C2C)C)SC

DOS

IR

Vibrations