Geometry & MOs

Info

ID:	256282
PubChem CID:	103138192
Reduced:	NOC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	2.97
IP(EA), eV:	-8.91(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(6-methylpyridin-3-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCCC(CC1CCC(O1)C)CNC

DOS

IR

Vibrations