Geometry & MOs

Info

ID:	415103
PubChem CID:	135088089
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	11.93
IP(EA), eV:	-8.86(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-2-(2,3,6-trimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations