Geometry & MOs

Info

ID:	43753
PubChem CID:	10321739
Reduced:	O3N4H26C27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	454.222957
ΔH_f, kcal/mol:	1.98
Dipole, Da:	4.47
IP(EA), eV:	-8.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)N3CCOCC3)C4=CC=C(C=C4)C5=NC(=NO5)C

DOS

IR

Vibrations