Geometry & MOs

Info

ID:	257090
PubChem CID:	103143708
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	225.101445
ΔH_f, kcal/mol:	47.19
Dipole, Da:	2.26
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(2H-triazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC2=C1C=NC=C2)C3(CC3)C

DOS

IR

Vibrations