Geometry & MOs

Info

ID:	295742
PubChem CID:	117543549
Reduced:	Cl2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	259.064303
ΔH_f, kcal/mol:	19.48
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCCN1CCC2=C(C1)C(=NC(=N2)Cl)Cl

DOS

IR

Vibrations