Geometry & MOs

Info

ID:	421896
PubChem CID:	135116790
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	9.2
IP(EA), eV:	-9.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations