Geometry & MOs

Info

ID:	89913
PubChem CID:	49965342
Reduced:	OS2N5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	406.083268
ΔH_f, kcal/mol:	64.28
Dipole, Da:	3.34
IP(EA), eV:	-8.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-[2-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=C(S3)N=C5CCN(CC5=C4)CC6=CC=CC=C6)N)C#N

DOS

IR

Vibrations