Geometry & MOs

Info

ID:	164453
PubChem CID:	74402061
Reduced:	N9C19H27 (1)
Stoich.:	A9B19C27 (1)
Weight, g/mol:	389.207642
ΔH_f, kcal/mol:	105.98
Dipole, Da:	5.63
IP(EA), eV:	-8.74(-0.67)
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'-(pyridin-2-ylmethyl)piperazine-1-carboximidamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=NC2CCNCC2)NC#N)C3=NC=NC4=C3C(=CN4)C

DOS

IR

Vibrations