Geometry & MOs

Info

ID:	414611
PubChem CID:	135087570
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-204.13
Dipole, Da:	11.21
IP(EA), eV:	-9.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-3-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)C

DOS

IR

Vibrations