Geometry & MOs

Info

ID:	370865
PubChem CID:	127341161
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-132.32
Dipole, Da:	7.86
IP(EA), eV:	-8.53(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CN3CCC4=C(C3)C=C(C=C4)O

DOS

IR

Vibrations