Geometry & MOs

Info

ID:	355998
PubChem CID:	127290988
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	3.19
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-cyclohexyloxypyridin-4-yl)methyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations