Geometry & MOs

Info

ID:	315757
PubChem CID:	126628680
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	6.62
IP(EA), eV:	-8.72(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[(4-methoxy-2-methylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C=NC3=C(C2=O)C=CN=C3C4=CSC(=N4)NCCO

DOS

IR

Vibrations