Geometry & MOs

Info

ID:	37950
PubChem CID:	8025831
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	380.233802
ΔH_f, kcal/mol:	-51.7
Dipole, Da:	2.96
IP(EA), eV:	-8.19(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)N3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations