Geometry & MOs

Info

ID:	423592
PubChem CID:	135119789
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	4.65
IP(EA), eV:	-9.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=CC=C2C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations