Geometry & MOs

Info

ID:	438803
PubChem CID:	135228560
Reduced:	N2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	93.64
Dipole, Da:	2.47
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5aR)-5a,6,7,8,9,9a-hexahydro-5H-imidazo[5,1-a]isoindol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)C2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations