Geometry & MOs

Info

ID:	30417
PubChem CID:	841301
Reduced:	O3N5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	295.113233
ΔH_f, kcal/mol:	49.86
Dipole, Da:	3.03
IP(EA), eV:	-9.18(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=CC=C2)C

DOS

IR

Vibrations