Geometry & MOs

Info

ID:	445678
PubChem CID:	135268883
Reduced:	FN4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	422.132509
ΔH_f, kcal/mol:	75.1
Dipole, Da:	2.49
IP(EA), eV:	-8.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-yl]pyrido[4,3-d]pyrimidin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC2=CC=C(C=C2)F)C3=C(N(C(=C)NC3=C)C)N=C

DOS

IR

Vibrations