Geometry & MOs

Info

ID:	414244
PubChem CID:	135087200
Reduced:	ClON6C14H19 (1)
Stoich.:	ABC6D14E19 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	4.08
IP(EA), eV:	-8.64(0.0)
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-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=NC(=NC(=C3Cl)C)N

DOS

IR

Vibrations