Geometry & MOs

Info

ID:	49929
PubChem CID:	11538201
Reduced:	ClFO2N6C16H20 (1)
Stoich.:	ABC2D6E16F20 (1)
Weight, g/mol:	382.04292
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.87
IP(EA), eV:	-9.16(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)[C@H](C)C2=NN(N=N2)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations