Geometry & MOs

Info

ID:	165827
PubChem CID:	74602688
Reduced:	SO4N6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	472.248784
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	7.2
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[4-[2-phenyl-1-(4-prop-2-enoxycarbonyloxyphenyl)but-1-enyl]phenoxy]ethyl]azanium

Drug info:

PubChemData

Smile

CCN1C(=O)C(C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=C(N3C)C4=CC=CO4

DOS

IR

Vibrations