Geometry & MOs

Info

ID:	40169
PubChem CID:	8143677
Reduced:	Cl2O2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	384.00961
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	2.02
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[3-amino-5-(4-bromophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations