Geometry & MOs

Info

ID:	276523
PubChem CID:	103824063
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	3.7
IP(EA), eV:	-8.61(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(isoquinolin-4-ylmethyl)-5-methylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations