Geometry & MOs

Info

ID:	311859
PubChem CID:	126598498
Reduced:	N2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	69.83
Dipole, Da:	3.97
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-cyano-6-formyl-7-propan-2-yloxyisoquinolin-1-yl)oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NC=C(C=C2)CC3=CN=CC=C3

DOS

IR

Vibrations