Geometry & MOs

Info

ID:	141498
PubChem CID:	52884080
Reduced:	FO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-119.22
Dipole, Da:	5.36
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-N-(4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)N(C)C(=O)CN2C(=O)[C@](NC2=O)(C)C3=CC=CC=N3

DOS

IR

Vibrations