Geometry & MOs

Info

ID:	343200
PubChem CID:	127266373
Reduced:	BrO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	334.124132
ΔH_f, kcal/mol:	-5.8
Dipole, Da:	2.09
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3-(1-hydroxypent-4-yn-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C)NC(=O)NCC2=CC(=NO2)Br

DOS

IR

Vibrations