Geometry & MOs

Info

ID:	418936
PubChem CID:	135107161
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	7.31
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN3C[C@@H]4COC[C@H](C3)NC4=O)C

DOS

IR

Vibrations