Geometry & MOs

Info

ID:	186139
PubChem CID:	77395983
Reduced:	NO2C28H37 (1)
Stoich.:	AB2C28D37 (1)
Weight, g/mol:	353.115571
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	6.71
IP(EA), eV:	-8.17(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[methyl-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C2C1=CC=C3C2(CC=C4C3(CCC5(C4CC(CC5)(C)CN)C)C)C)O

DOS

IR

Vibrations