Geometry & MOs

Info

ID:	291520
PubChem CID:	113221267
Reduced:	N2O3C13H28 (1)
Stoich.:	A2B3C13D28 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	3.65
IP(EA), eV:	-8.79(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-1-(propylamino)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCNCC(CN1CCCC1)O

DOS

IR

Vibrations