Geometry & MOs

Info

ID:	137292
PubChem CID:	52184626
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	6.12
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenylmethoxy-N-[(2S)-2-(4-phenylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=CC(=C2)CNC(=O)N[C@@H](C)C(C)C

DOS

IR

Vibrations