Geometry & MOs

Info

ID:	347058
PubChem CID:	127271562
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-28.38
Dipole, Da:	2.07
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-2-ylmethyl)-3-[oxolan-2-yl(phenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(OC1)C(C2=CC=CC=C2)NC(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations