Geometry & MOs

Info

ID:	343896
PubChem CID:	127267072
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	299.210996
ΔH_f, kcal/mol:	19.89
Dipole, Da:	3.34
IP(EA), eV:	-8.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(CC2)NCC3=CN=C(N=C3N)N

DOS

IR

Vibrations