Geometry & MOs

Info

ID:	130156
PubChem CID:	51075083
Reduced:	O2S2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	321.133808
ΔH_f, kcal/mol:	22.56
Dipole, Da:	8.4
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-1,2,4-triazol-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)CSC2=NC3=CC=CC=C3CS2

DOS

IR

Vibrations