Geometry & MOs

Info

ID:	418947
PubChem CID:	135107210
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	358.080823
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	8.56
IP(EA), eV:	-9.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(=CC[C@@]1(C[C@H]2CC[C@@H]1N2C(=O)C3=CC=CC=C3)C(=O)N4CCC5(CCCO5)CC4)C

DOS

IR

Vibrations