Geometry & MOs

Info

ID:	375669
PubChem CID:	134220735
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	644.313789
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	1.24
IP(EA), eV:	-8.96(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-[4-[1-[(4Z,6E)-6-[2-(4-ethynylphenyl)ethynyl]octa-4,6-dien-1-ynyl]-4-methylcyclohexyl]oxycarbonylphenyl] cyclohexane-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)OCCN1C=CN=C1CCC(=O)N2CCCCC2

DOS

IR

Vibrations