Geometry & MOs

Info

ID:	370415
PubChem CID:	127338546
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	6.11
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2CC3=CC=CC=C3CN2C(=O)C4CC5CCCC(C4)C5=O

DOS

IR

Vibrations