Geometry & MOs

Info

ID:	306350
PubChem CID:	125003878
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	4.23
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1-phenylpropan-2-yl)-2-[(2R)-2-[5-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCO[C@@H](C2)C3=NC(=CC(=C3)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations