Geometry & MOs

Info

ID:	65277
PubChem CID:	29211886
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	27.04
Dipole, Da:	7.11
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NNC(=N1)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations