Geometry & MOs

Info

ID:	370861
PubChem CID:	127341146
Reduced:	ClO2N4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	2.79
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations