Geometry & MOs

Info

ID:	343577
PubChem CID:	127266750
Reduced:	ClN5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	346.094501
ΔH_f, kcal/mol:	66.75
Dipole, Da:	5.0
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(7-chloropyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)CNC2=NC3=C(C(=NN3C)C)C(=C2C)Cl

DOS

IR

Vibrations