Geometry & MOs

Info

ID:	405044
PubChem CID:	135072264
Reduced:	OC7H10 (4)
Stoich.:	AB7C10 (4)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	3.12
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyclohexyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H](C[C@H]([C@@H]2OCC=C)CC=C)CC=C)OCCCC=C

DOS

IR

Vibrations