Geometry & MOs

Info

ID:	160704
PubChem CID:	57389488
Reduced:	ClON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	332.104003
ΔH_f, kcal/mol:	39.93
Dipole, Da:	4.75
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloroanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)NC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations