Geometry & MOs

Info

ID:	348479
PubChem CID:	127273590
Reduced:	OS2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	46.1
Dipole, Da:	9.06
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCCC(=O)N3CCCN4C3=CC=N4)C

DOS

IR

Vibrations