Geometry & MOs

Info

ID:	164452
PubChem CID:	74402060
Reduced:	N8C21H30 (1)
Stoich.:	A8B21C30 (1)
Weight, g/mol:	381.238942
ΔH_f, kcal/mol:	83.15
Dipole, Da:	6.52
IP(EA), eV:	-8.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-piperidin-4-ylpiperazine-1-carboximidamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N=C(NC#N)N2CCN(CC2C)C3=NC=NC4=C3C(=CN4)C

DOS

IR

Vibrations