Geometry & MOs

Info

ID:	157477
PubChem CID:	56430424
Reduced:	BrN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	422.116398
ΔH_f, kcal/mol:	-57.43
Dipole, Da:	2.36
IP(EA), eV:	-8.56(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dichlorophenyl)-1-(4-hydroxycyclohexyl)-1-[(3-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2CC3=CC4=C(C=C3Br)OCCO4

DOS

IR

Vibrations