Geometry & MOs

Info

ID:	367332
PubChem CID:	127324221
Reduced:	SO2N4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	264.169859
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	2.13
IP(EA), eV:	-8.84(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(1,2,4-triazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations