Geometry & MOs

Info

ID:	202670
PubChem CID:	79708806
Reduced:	BrNF2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	339.07464
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	4.01
IP(EA), eV:	-9.23(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3-bromo-5-fluorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC=C(C=C1)F)CC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations