Geometry & MOs

Info

ID:	192251
PubChem CID:	78249797
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	434.260314
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	1.26
IP(EA), eV:	-8.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[bis(2-methylpropyl)amino]methyl]-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CC(C)N1CCC2(CC1)N3C(C=C(N3)C4=CC(=CC=C4)OC)C5=C(O2)C(=CC=C5)OC

DOS

IR

Vibrations