Geometry & MOs

Info

ID:	446617
PubChem CID:	135276408
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	508.316189
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	5.02
IP(EA), eV:	-8.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-[2-methanimidoyl-4-methyl-5-[1-(oxolan-3-yl)piperidin-4-yl]anilino]-2-methylpyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)N3C(=NN=C3C(=N2)NCCCCNC(=O)[C@@H](C(C)C)O)C)OC

DOS

IR

Vibrations