Geometry & MOs

Info

ID:	133942
PubChem CID:	51617620
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	277.191603
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	5.25
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazin-4-ium

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations