Geometry & MOs

Info

ID:	186865
PubChem CID:	77498989
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	-14.99
Dipole, Da:	1.71
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[2-(2-methoxypropan-2-ylamino)-4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]methanol

Drug info:

PubChemData

Smile

C1COCCN1C(C2CNNC2C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations