Geometry & MOs

Info

ID:	154466
PubChem CID:	56313909
Reduced:	BrFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	379.205991
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	3.51
IP(EA), eV:	-9.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)COC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations