Geometry & MOs

Info

ID:	417672
PubChem CID:	135102475
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	370.171499
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	8.86
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN=C2CN3CCN(C(=O)C3)CC(=O)O

DOS

IR

Vibrations