Geometry & MOs

Info

ID:	444914
PubChem CID:	135263925
Reduced:	N4O5C18H30 (1)
Stoich.:	A4B5C18D30 (1)
Weight, g/mol:	500.267508
ΔH_f, kcal/mol:	-215.86
Dipole, Da:	4.08
IP(EA), eV:	-9.53(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-methoxy-4-methylpyridin-3-yl)-3-[2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoate

Drug info:

PubChemData

Smile

C[C@@H](CN[C@@H](C)C(=O)O)NCCCCCC(=O)NCCN1C(=O)C=CC1=O

DOS

IR

Vibrations