Geometry & MOs

Info

ID:	279318
PubChem CID:	103843042
Reduced:	BrOF2N2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	301.00262
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	4.94
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-[(3-methylimidazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations