Geometry & MOs

Info

ID:	183462
PubChem CID:	77024427
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	2.38
IP(EA), eV:	-8.72(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-ethylazepane-1-carbonyl)thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC=CCOCCCCCCNC(C)(C)C

DOS

IR

Vibrations