Geometry & MOs

Info

ID:	342045
PubChem CID:	127264758
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	3.96
IP(EA), eV:	-9.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-hydroxyethyl)-3-isoquinolin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)CNC(=O)N2C3CCC2CC(C3)O

DOS

IR

Vibrations