Geometry & MOs

Info

ID:	313698
PubChem CID:	126617300
Reduced:	OSN6C22H24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	320.102174
ΔH_f, kcal/mol:	64.27
Dipole, Da:	9.15
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-(4-hydroxyphenyl)pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)CCNC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)CCC4=CC=CC=C4

DOS

IR

Vibrations