Geometry & MOs

Info

ID:	272865
PubChem CID:	103762574
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	4.18
IP(EA), eV:	-10.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC1(OCC(O1)CNC(=O)C2=CC(=NC=C2)Cl)C

DOS

IR

Vibrations