Geometry & MOs

Info

ID:	245936
PubChem CID:	103030173
Reduced:	Cl2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	311.04334
ΔH_f, kcal/mol:	37.47
Dipole, Da:	1.96
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CN(N=C1)C)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations