Geometry & MOs

Info

ID:	370862
PubChem CID:	127341147
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	37.82
Dipole, Da:	7.77
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCC4=C(C3)C=C(C=C4)O

DOS

IR

Vibrations