Geometry & MOs

Info

ID:	368997
PubChem CID:	127331101
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	2.35
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(1-propylpiperidin-4-yl)methyl]-1-(pyrazin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1COCCC1CNC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations