Geometry & MOs

Info

ID:	196786
PubChem CID:	78878075
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-94.16
Dipole, Da:	2.72
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)OC)C(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

DOS

IR

Vibrations