Geometry & MOs

Info

ID:	358217
PubChem CID:	127295762
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-162.9
Dipole, Da:	3.11
IP(EA), eV:	-9.42(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(oxan-4-yl)-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3CCOCC3

DOS

IR

Vibrations