Geometry & MOs

Info

ID:	150401
PubChem CID:	53790090
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	372.104084
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	4.35
IP(EA), eV:	-8.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethylphenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C4C[C@@H](OC4=O)CO)F

DOS

IR

Vibrations