Geometry & MOs

Info

ID:	171461
PubChem CID:	75379634
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	339.288577
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	2.74
IP(EA), eV:	-8.28(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclohexylmethyl)piperidin-4-yl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2N1CC(=O)NC(C)COC)C

DOS

IR

Vibrations