Geometry & MOs

Info

ID:	436585
PubChem CID:	135205678
Reduced:	ClN5O5C31H32 (1)
Stoich.:	AB5C5D31E32 (1)
Weight, g/mol:	305.93709
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	3.99
IP(EA), eV:	-8.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-chlorophenyl)-1-(difluoromethyl)pyrazole

Drug info:

PubChemData

Smile

CC(C)(C)OCCC(C(=O)NC1=CC2=CN(N=C2C=C1)C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C5=CN=CO5)OC

DOS

IR

Vibrations