Geometry & MOs

Info

ID:	421488
PubChem CID:	135116110
Reduced:	FN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-143.72
Dipole, Da:	3.24
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC)CO

DOS

IR

Vibrations