Geometry & MOs

Info

ID:	290904
PubChem CID:	111633085
Reduced:	O3N4C20H32 (1)
Stoich.:	A3B4C20D32 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-105.12
Dipole, Da:	4.42
IP(EA), eV:	-8.81(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)CCNC(=NC)NCCCOCC2CCCO2

DOS

IR

Vibrations