Geometry & MOs

Info

ID:	369014
PubChem CID:	127331118
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	4.07
IP(EA), eV:	-8.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(oxan-3-yl)-1-(pyrazin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations