Geometry & MOs

Info

ID:	385998
PubChem CID:	134980495
Reduced:	NSO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	6.24
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butylcyclohexa-1,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C3CCCCC3)C(=C)C=C2C

DOS

IR

Vibrations