Geometry & MOs

Info

ID:	435073
PubChem CID:	135179780
Reduced:	O3N5C8H13 (1)
Stoich.:	A3B5C8D13 (1)
Weight, g/mol:	384.978774
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	4.49
IP(EA), eV:	-9.12(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1OC=O)/C(=N/NN)/N)C

DOS

IR

Vibrations