Geometry & MOs

Info

ID:	261708
PubChem CID:	103246701
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	5.61
IP(EA), eV:	-9.11(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)NCC(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations