Geometry & MOs

Info

ID:	259223
PubChem CID:	103162171
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	5.96
IP(EA), eV:	-9.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(2-cyclobutylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)N[C@H](CC2=CN=CN2)C(=O)O

DOS

IR

Vibrations