Geometry & MOs

Info

ID:	380759
PubChem CID:	134971302
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-109.97
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[1-[(3-ethoxy-3-oxopropanoyl)amino]cyclohexyl]ethynyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)NC1(CCCCC1)C#CC2=CC=CC(=C2)C

DOS

IR

Vibrations