Geometry & MOs

Info

ID:	419936
PubChem CID:	135109892
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	5.41
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC3=C(C=C2OC)OCO3

DOS

IR

Vibrations