Geometry & MOs

Info

ID:	29156
PubChem CID:	832043
Reduced:	ClOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	15.29
Dipole, Da:	5.13
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC3=CN=CC=C3)Cl

DOS

IR

Vibrations