Geometry & MOs

Info

ID:	311174
PubChem CID:	126589730
Reduced:	OCl2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	545.280905
ΔH_f, kcal/mol:	37.73
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(3,3-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCN1C=C(N=N1)CN(C)CC2=NC3=C(C=C2)C(=CC(=C3O)Cl)Cl

DOS

IR

Vibrations