Geometry & MOs

Info

ID:	326396
PubChem CID:	126687469
Reduced:	BrN3H27C33 (2)
Stoich.:	AB3C27D33 (2)
Weight, g/mol:	177.126598
ΔH_f, kcal/mol:	266.87
Dipole, Da:	3.08
IP(EA), eV:	-8.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine

Drug info:

Smile

C/C=C\C1=C(C2=C(N1C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)C(C)(C)C)C8=C6C=CC(=C8)C(C)(C)C)C9=CC=C(C=C9)N1C3=C(C=C(C=C3)Br)C3=CC=CC=C31)C=CC(=C2)Br)C=C

DOS

IR

Vibrations