Geometry & MOs

Info

ID:	332344
PubChem CID:	127250630
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4)COC

DOS

IR

Vibrations