Geometry & MOs

Info

ID:	297811
PubChem CID:	117632669
Reduced:	NOC25H39 (1)
Stoich.:	ABC25D39 (1)
Weight, g/mol:	462.109483
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	0.92
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[chloro(phenyl)methyl] N-[3-[3-(2-oxopropanoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=NC2=C(C=CC=C2OC)C=C1

DOS

IR

Vibrations