Geometry & MOs

Info

ID:	363234
PubChem CID:	127310375
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	386.123561
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	7.14
IP(EA), eV:	-8.68(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfonylpiperidin-3-yl)-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations