Geometry & MOs

Info

ID:	326397
PubChem CID:	126687470
Reduced:	N3C10H15 (1)
Stoich.:	A3B10C15 (1)
Weight, g/mol:	523.194358
ΔH_f, kcal/mol:	58.83
Dipole, Da:	1.66
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4,5-dihydroimidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/N1CCN=C1N

DOS

IR

Vibrations