Geometry & MOs

Info

ID:	298933
PubChem CID:	117664404
Reduced:	ON6C28H32 (1)
Stoich.:	AB6C28D32 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	49.46
Dipole, Da:	6.13
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methoxy-2-(3-methylbut-3-enyl)-5-[(E)-2-phenylethenyl]phenyl] 1H-imidazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=CC(=N2)C3=CC4=C(C=C3)NC=C4C5=CN=CC(=N5)O[C@@H]6CCCNC6

DOS

IR

Vibrations