Geometry & MOs

Info

ID:	296324
PubChem CID:	117568752
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	5.65
IP(EA), eV:	-9.19(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCCC(C)C(=O)O

DOS

IR

Vibrations