Geometry & MOs

Info

ID:	202677
PubChem CID:	79709560
Reduced:	FNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	339.07464
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	6.07
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC(=C2)F)/C=C/C(=O)O

DOS

IR

Vibrations