Geometry & MOs

Info

ID:	256053
PubChem CID:	103136650
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	2.69
IP(EA), eV:	-8.95(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(5-methylpyridin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CN=C(C=C2)CC(C)N

DOS

IR

Vibrations