Geometry & MOs

Info

ID:	280941
PubChem CID:	103852055
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	285.107754
ΔH_f, kcal/mol:	50.69
Dipole, Da:	3.5
IP(EA), eV:	-8.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-3-pyrazol-1-ylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NCC2=CN(N=C2C)C

DOS

IR

Vibrations