Geometry & MOs

Info

ID:	370414
PubChem CID:	127338501
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	4.61
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CN1CCCN(C2=CC=CC=C21)C(=O)C3CC(=O)N(C3)C

DOS

IR

Vibrations