Geometry & MOs

Info

ID:	416553
PubChem CID:	135089668
Reduced:	SO7N8C35H42 (1)
Stoich.:	AB7C8D35E42 (1)
Weight, g/mol:	346.204513
ΔH_f, kcal/mol:	-173.59
Dipole, Da:	12.2
IP(EA), eV:	-9.42(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NCC2=CN(CCOC3=C(C=CC(=C3)OC)C(=O)N[C@H](C4=NC(=CS4)C(=O)N1)CC(C)C)N=N2)CC5=CC=CC=C5)O

DOS

IR

Vibrations