Geometry & MOs

Info

ID:	156239
PubChem CID:	56369780
Reduced:	BrN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	1.76
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[3-(5-phenylpyrazol-1-yl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCOC2=CC3=C(C=C2)OCO3)Br

DOS

IR

Vibrations