Geometry & MOs

Info

ID:	441903
PubChem CID:	135246559
Reduced:	F2N2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	414.170333
ΔH_f, kcal/mol:	-40.31
Dipole, Da:	5.71
IP(EA), eV:	-9.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-[[3-(4-fluoro-2-methoxyphenyl)-4-methyl-3,4-dihydropyridin-2-yl]oxy]pyrimidin-2-yl]-methylamino]acetate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(N=CC=C2)CC3=CN=C(C(=C3)C)C(F)F

DOS

IR

Vibrations