Geometry & MOs

Info

ID:	305734
PubChem CID:	124967230
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	5.44
IP(EA), eV:	-8.48(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=NC(=C2)C)[C@H]3CCCN(C3)C(=O)CCOC

DOS

IR

Vibrations