Geometry & MOs

Info

ID:	328223
PubChem CID:	126699495
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	76.37
Dipole, Da:	0.53
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

CCN=C(C1=CC(=CC(=C1)C2=CC=CC=C2)Cl)N=C

DOS

IR

Vibrations