Geometry & MOs

Info

ID:	425869
PubChem CID:	135128385
Reduced:	N3C9H11 (1)
Stoich.:	A3B9C11 (1)
Weight, g/mol:	402.240624
ΔH_f, kcal/mol:	65.71
Dipole, Da:	3.53
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-ethylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=NC2=CC=CC=C2C1)N

DOS

IR

Vibrations