Geometry & MOs

Info

ID:	187577
PubChem CID:	77593954
Reduced:	Cl2N2O4C29H36 (1)
Stoich.:	A2B2C4D29E36 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	3.46
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxypropanoylamino)cyclohexyl]ethylcarbamic acid

Drug info:

PubChemData

Smile

CCCCC(C1C(CNC(=O)C1CC2=C(C=CC=C2Cl)Cl)C)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)C

DOS

IR

Vibrations