Geometry & MOs

Info

ID:	164451
PubChem CID:	74402059
Reduced:	N8C21H24 (1)
Stoich.:	A8B21C24 (1)
Weight, g/mol:	394.259343
ΔH_f, kcal/mol:	128.27
Dipole, Da:	5.59
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=NC2=CC=C(C=C2)C)NC#N)C3=NC=NC4=C3C(=CN4)C

DOS

IR

Vibrations