Geometry & MOs

Info

ID:	1500
PubChem CID:	4603
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-201.87
Dipole, Da:	2.97
IP(EA), eV:	-9.43(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

DOS

IR

Vibrations