Geometry & MOs

Info

ID:	330652
PubChem CID:	127248059
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	4.73
IP(EA), eV:	-8.67(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C)C(=O)N2CCC(C2)(CN3CCOCC3)O

DOS

IR

Vibrations