Geometry & MOs

Info

ID:	444927
PubChem CID:	135264002
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	519.22704
ΔH_f, kcal/mol:	-128.29
Dipole, Da:	6.63
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)C(CC(=O)O)C4=CN=C(C=C4C)OC)C

DOS

IR

Vibrations