Geometry & MOs

Info

ID:	290176
PubChem CID:	104417558
Reduced:	ClN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-116.76
Dipole, Da:	1.94
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(pyrimidin-4-ylmethylamino)propanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNCC1=C(C(=C(C=C1)OC)OC)Cl

DOS

IR

Vibrations