Geometry & MOs

Info

ID:	439131
PubChem CID:	135228896
Reduced:	ON3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	389.196408
ΔH_f, kcal/mol:	2.05
Dipole, Da:	7.7
IP(EA), eV:	-7.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-nitrosoethyl]piperidin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=O)C)C(C)(C)C)/C(=C(\C)/N)/C=N

DOS

IR

Vibrations