Geometry & MOs

Info

ID:	417331
PubChem CID:	135092294
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	9.18
Dipole, Da:	3.94
IP(EA), eV:	-9.25(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(1-methylimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C(=NC=N1)C(C)NC(=O)C2=CC=CN2C

DOS

IR

Vibrations