Geometry & MOs

Info

ID:	251801
PubChem CID:	103107051
Reduced:	IO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	23.27
Dipole, Da:	3.93
IP(EA), eV:	-9.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(isoquinolin-4-ylmethylamino)-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)I)C3CC3

DOS

IR

Vibrations