Geometry & MOs

Info

ID:	289102
PubChem CID:	104336000
Reduced:	ClO2N4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	4.18
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)CN(CC)C1=CC(=NC(=N1)COCC)Cl

DOS

IR

Vibrations