Geometry & MOs

Info

ID:	323554
PubChem CID:	126675454
Reduced:	O2N3C26H39 (1)
Stoich.:	A2B3C26D39 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-55.68
Dipole, Da:	3.47
IP(EA), eV:	-8.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclooctatetraenylmethyl)-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2(CC=C(C=C2)COC3CCNC3)C)N4CCN(CC4)CCO

DOS

IR

Vibrations