Geometry & MOs

Info

ID:	343173
PubChem CID:	127266346
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	338.119047
ΔH_f, kcal/mol:	-112.84
Dipole, Da:	4.14
IP(EA), eV:	-9.43(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3-(1,3-dioxolan-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCC2COCO2

DOS

IR

Vibrations