Geometry & MOs

Info

ID:	294592
PubChem CID:	117472519
Reduced:	BrClFNC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	292.109089
ΔH_f, kcal/mol:	-38.67
Dipole, Da:	4.88
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC1(CCCN1)C2=CC(=C(C(=C2)Cl)Br)F

DOS

IR

Vibrations