Geometry & MOs

Info

ID:	297887
PubChem CID:	117636374
Reduced:	NSC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	649.337653
ΔH_f, kcal/mol:	35.97
Dipole, Da:	1.02
IP(EA), eV:	-8.35(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyanopropan-2-yl)-5-[6-methoxy-2-methyl-7-(2,3,5-trimethyl-3H-1,2-oxazol-4-yl)-9H-pyrimido[4,5-b]indol-4-yl]-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)NC=C2

DOS

IR

Vibrations