Geometry & MOs

Info

ID:	216009
PubChem CID:	85085574
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-98.76
Dipole, Da:	2.06
IP(EA), eV:	-8.1(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=CC)N1CCC2(CC1)OCCO2

DOS

IR

Vibrations