Geometry & MOs

Info

ID:	358521
PubChem CID:	127296117
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	3.09
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations