Geometry & MOs

Info

ID:	444926
PubChem CID:	135264001
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	7.27
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(6-methoxy-4-methylpyridin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=NOC=C5)C=C3)C)N=N1

DOS

IR

Vibrations