Geometry & MOs

Info

ID:	310069
PubChem CID:	126573671
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	454.22162
ΔH_f, kcal/mol:	-204.19
Dipole, Da:	6.34
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=CN=C2C=C1C(=O)N)OC3CCN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations