Geometry & MOs

Info

ID:	310173
PubChem CID:	126576096
Reduced:	NO2C17H31 (1)
Stoich.:	AB2C17D31 (1)
Weight, g/mol:	400.080155
ΔH_f, kcal/mol:	-148.87
Dipole, Da:	2.82
IP(EA), eV:	-9.49(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-(1,1,1-trifluoro-2-hydroxy-3-methoxybut-3-en-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CCC(CC)C1CC2CCC(C1)N2C(=O)OC(C)(C)C

DOS

IR

Vibrations