Geometry & MOs

Info

ID:	368442
PubChem CID:	127328696
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	348.187149
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	4.99
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclohexylsulfanylmethyl)phenyl]-3-[(3-methyloxetan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)COC1=NC=C(C=C1)NC(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations