Geometry & MOs

Info

ID:	439176
PubChem CID:	135228941
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	5.29
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N'-[2-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]phenyl]carbamimidate

Drug info:

PubChemData

Smile

CCOC(=O)CC1C2=C(CC(C=C2)C)C3=CN=CN13

DOS

IR

Vibrations