Geometry & MOs

Info

ID:	79879
PubChem CID:	49831004
Reduced:	ClON4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	595.279469
ΔH_f, kcal/mol:	55.61
Dipole, Da:	4.19
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

COCCN1C=C(C(=N1)C2=CC=C(C=C2)Cl)C3=NC=NC=C3

DOS

IR

Vibrations