Geometry & MOs

Info

ID:	330613
PubChem CID:	127248020
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	4.56
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)/C=C/C2=CC=CC=C2F)O

DOS

IR

Vibrations