Geometry & MOs

Info

ID:	444938
PubChem CID:	135264021
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	536.138196
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	3.39
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](CC(=O)O)C3=CC4=C(CCN(C4)C(=O)CC5=CC=CC=C5)C=C3)C)N=N1

DOS

IR

Vibrations