Geometry & MOs

Info

ID:	322546
PubChem CID:	126670464
Reduced:	O8C21H22 (1)
Stoich.:	A8B21C22 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-284.42
Dipole, Da:	14.36
IP(EA), eV:	-9.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1Z)-buta-1,3-dienyl]-2-tert-butyl-4-ethenyl-1H-imidazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)/C(=C/C=C(/C)\C=C)/C)C(=O)O

DOS

IR

Vibrations