Geometry & MOs

Info

ID:	416503
PubChem CID:	135089519
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	347.199762
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	6.41
IP(EA), eV:	-9.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(pyridin-4-ylmethyl)-1-(4,7,8-trimethylquinolin-2-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)CCCC3=NC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations