Geometry & MOs

Info

ID:	444891
PubChem CID:	135263879
Reduced:	O3N5C31H35 (1)
Stoich.:	A3B5C31D35 (1)
Weight, g/mol:	471.240959
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	10.98
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxy-2-methylphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations