Geometry & MOs

Info

ID:	231252
PubChem CID:	87573210
Reduced:	SN9O13H47C49 (1)
Stoich.:	AB9C13D47E49 (1)
Weight, g/mol:	187.123523
ΔH_f, kcal/mol:	-384.16
Dipole, Da:	13.84
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-3-methyl-2-phenylimidazol-3-ium

Drug info:

Smile

COC1=CC2=C(C=C1)C=CC(=O)N2C[C@@H](C(=O)N)N(C[C@H]3CN(C(=O)O3)C4=CC5=C(C=C4)SCC(=O)N5)N(C[C@H]6CN(C(=O)O6)C7=CC8=C(C=C7)OCCO8)C(=O)CCN9C1=C(C=CC(=C1)OC)N=CC9=O

DOS

IR

Vibrations