Geometry & MOs

Info

ID:	313758
PubChem CID:	126617434
Reduced:	FN2O3C35H35 (1)
Stoich.:	AB2C3D35E35 (1)
Weight, g/mol:	425.148789
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	3.01
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4C)C)CC(=O)O)C5=CC6=C(C=C5)OCCC6)F

DOS

IR

Vibrations