Geometry & MOs

Info

ID:	362707
PubChem CID:	127309184
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	4.5
IP(EA), eV:	-8.69(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyanophenoxy)cyclohexyl]-3-(oxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations