Geometry & MOs

Info

ID:	275106
PubChem CID:	103813836
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-13.94
Dipole, Da:	4.85
IP(EA), eV:	-9.61(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)CCCN

DOS

IR

Vibrations