Geometry & MOs

Info

ID:	423491
PubChem CID:	135119588
Reduced:	FO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(3-methyl-4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(OC(=N3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations