Geometry & MOs

Info

ID:	209393
PubChem CID:	80664983
Reduced:	BrNOF2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-131.42
Dipole, Da:	3.86
IP(EA), eV:	-9.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)CC1=C(C=C(C=C1)F)F)Br

DOS

IR

Vibrations