Geometry & MOs

Info

ID:	311860
PubChem CID:	126598531
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-166.77
Dipole, Da:	11.58
IP(EA), eV:	-8.92(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-4-aminopiperidin-3-yl]oxy-7-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1C=O)C(=CN=C2OC3CCCN(C3)C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations