Geometry & MOs

Info

ID:	333962
PubChem CID:	127252514
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	24.01
Dipole, Da:	3.78
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylimidazol-2-yl)-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CN=C(N=C2C3CCCO3)NC4CC4

DOS

IR

Vibrations