Geometry & MOs

Info

ID:	78781
PubChem CID:	49720291
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	295.113233
ΔH_f, kcal/mol:	22.22
Dipole, Da:	1.82
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NC2=CC3=C(C=C2)SC(=N3)C)C

DOS

IR

Vibrations