Geometry & MOs

Info

ID:	204786
PubChem CID:	80008207
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	346.98249
ΔH_f, kcal/mol:	97.05
Dipole, Da:	3.96
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-bromophenyl)pyrazol-1-yl]-5-chloroaniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CN(N=C2)C3=NC=C(C=C3)N

DOS

IR

Vibrations