Geometry & MOs

Info

ID:	289115
PubChem CID:	104336543
Reduced:	ClON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	287.103669
ΔH_f, kcal/mol:	-39.61
Dipole, Da:	4.19
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)C(C)CNC1=CC(=NC(=N1)COC)Cl

DOS

IR

Vibrations