Geometry & MOs

Info

ID:	280681
PubChem CID:	103850712
Reduced:	ClN3O3C13H20 (1)
Stoich.:	AB3C3D13E20 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	1.21
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC(CCO)COC)C1=NC=C(C=C1)Cl

DOS

IR

Vibrations