Geometry & MOs

Info

ID:	294900
PubChem CID:	117503064
Reduced:	BrClN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	317.073118
ΔH_f, kcal/mol:	5.22
Dipole, Da:	2.96
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)Br)CCN2CCNCC2

DOS

IR

Vibrations