Geometry & MOs

Info

ID:	166288
PubChem CID:	74664611
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	3.6
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-1,3-thiazol-4-yl)-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC2C(C1)NC(NC2=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations