Geometry & MOs

Info

ID:	30450
PubChem CID:	841350
Reduced:	N4O5H14C15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	313.997345
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	4.16
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(N=C1OC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations