Geometry & MOs

Info

ID:	368843
PubChem CID:	127330785
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	307.16444
ΔH_f, kcal/mol:	-79.15
Dipole, Da:	3.6
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-(oxan-4-yl)urea

Drug info:

PubChemData

Smile

CC(C1CCCO1)NC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations