Geometry & MOs

Info

ID:	419454
PubChem CID:	135108200
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	6.03
IP(EA), eV:	-8.54(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-phenyl-2-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4)C)O

DOS

IR

Vibrations