Geometry & MOs

Info

ID:	258753
PubChem CID:	103156797
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	244.072703
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	1.81
IP(EA), eV:	-8.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-chloropyrimidin-4-yl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC=C1Cl)OCC(CC2CCCC2)O

DOS

IR

Vibrations