Geometry & MOs

Info

ID:	256006
PubChem CID:	103136277
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	280.168797
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	6.88
IP(EA), eV:	-9.02(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(2-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CN=C2CN

DOS

IR

Vibrations