Geometry & MOs

Info

ID:	444909
PubChem CID:	135263913
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	7.19
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[2-(1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=N2)/C=C/C(=O)O

DOS

IR

Vibrations