Geometry & MOs

Info

ID:	50033
PubChem CID:	11538916
Reduced:	FO2N5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	415.214744
ΔH_f, kcal/mol:	-105.43
Dipole, Da:	2.91
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-(dibenzylamino)-2-hydroxybutyl] (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=CC=CC=C3F

DOS

IR

Vibrations