Geometry & MOs

Info

ID:	289122
PubChem CID:	104336917
Reduced:	ClON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	296.067618
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	4.08
IP(EA), eV:	-9.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC2=CC(=NC(=N2)COC)Cl)C

DOS

IR

Vibrations