Geometry & MOs

Info

ID:	442284
PubChem CID:	135251010
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	359.185844
ΔH_f, kcal/mol:	87.28
Dipole, Da:	2.23
IP(EA), eV:	-8.85(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C/C=C\C(=C/N=C)\C(C1=CN=CC=C1)N2CCNCC2

DOS

IR

Vibrations