Geometry & MOs

Info

ID:	138322
PubChem CID:	52348106
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	64.49
Dipole, Da:	3.6
IP(EA), eV:	-8.47(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-prop-2-enylurea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CN(N=C4)CC(=O)NC5CC5

DOS

IR

Vibrations