Geometry & MOs

Info

ID:	346174
PubChem CID:	127270662
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	33.67
Dipole, Da:	3.71
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-2-ylmethyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCC(CC1)C2=NN=C3N2C=CC=C3)C4CC4

DOS

IR

Vibrations