Geometry & MOs

Info

ID:	238730
PubChem CID:	92765299
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	5.21
IP(EA), eV:	-8.78(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CN2CCN(CC2)CCO)C

DOS

IR

Vibrations