Geometry & MOs

Info

ID:	150384
PubChem CID:	53790073
Reduced:	FN4O4C34H39 (1)
Stoich.:	AB4C4D34E39 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	-151.83
Dipole, Da:	3.37
IP(EA), eV:	-8.87(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[C-[2-(2-chlorophenyl)ethenyl]-N-cyclohexylcarbonimidoyl]urea

Drug info:

PubChemData

Smile

CC(C)(CCCC[C@@H]([C@@](CC1=CC=CC=C1)(C(=O)NCC2=CC=C(C=C2)OC)NC(=O)C3=NC4=CC=CC=C4N=C3)O)F

DOS

IR

Vibrations