Geometry & MOs

Info

ID:	298908
PubChem CID:	117664218
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	58.87
Dipole, Da:	7.04
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-4-[(E)-2-phenylethenyl]phenyl]-3-(3-methylbut-3-enyl)urea

Drug info:

PubChemData

Smile

C1CC(CNC1)OC2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=CC(=CN=C5)Cl

DOS

IR

Vibrations