Geometry & MOs

Info

ID:	361610
PubChem CID:	127303876
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	6.81
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCCC(C3)C4=NN=CN4C(C)C

DOS

IR

Vibrations