Geometry & MOs

Info

ID:	355425
PubChem CID:	127288488
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	17.33
Dipole, Da:	2.76
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dihydroacenaphthylen-5-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations