Geometry & MOs

Info

ID:	140352
PubChem CID:	52685936
Reduced:	O2N3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	304.169939
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755414
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethyl-3-fluoroanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC[NH+](C)CC(=O)NC2=CC=C(C=C2)N3CCCC3

DOS

IR

Vibrations