Geometry & MOs

Info

ID:	228425
PubChem CID:	87564367
Reduced:	OC18H38 (1)
Stoich.:	AB18C38 (1)
Weight, g/mol:	185.070145
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	1.46
IP(EA), eV:	-9.28(2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(1,2-dihydrotriazol-5-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)CC(C(C)(C)C)OC(CC(C)C)C(C)(C)C

DOS

IR

Vibrations