Geometry & MOs

Info

ID:	14749
PubChem CID:	419459
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-112.2
Dipole, Da:	3.32
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 4-(N'-cyclohexylcarbamimidoyl)benzoate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C1=CC=C(C=C1)C(=NC2CCCCC2)N

DOS

IR

Vibrations