Geometry & MOs

Info

ID:	394774
PubChem CID:	135023750
Reduced:	SN3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	109.65
Dipole, Da:	4.56
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3R,7aS)-1-cyclohexyl-4,4-dimethyl-1,2,3,7a-tetrahydrocyclopenta[c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C(=NC(=N3)C4=CC=CC=C4)S2)C

DOS

IR

Vibrations