Geometry & MOs

Info

ID:	310170
PubChem CID:	126576032
Reduced:	NOC8H16 (2)
Stoich.:	ABC8D16 (2)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-144.33
Dipole, Da:	2.15
IP(EA), eV:	-8.48(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pentan-3-yl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCC(CC)N1CCC[C@@H](C1)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations