Geometry & MOs

Info

ID:	144292
PubChem CID:	53345945
Reduced:	OC3H4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	364.226312
ΔH_f, kcal/mol:	-365.21
Dipole, Da:	5.95
IP(EA), eV:	-10.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2S)-2-amino-1,2-diphenylethyl]-N-prop-2-enylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=O)O[C@H]1[C@@H](C[C@]2(C(C1(C)C)CC=C3C2COC3=O)C)OC(=O)CCC(=O)O

DOS

IR

Vibrations