Geometry & MOs

Info

ID:	255744
PubChem CID:	103134455
Reduced:	BrN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	315.01827
ΔH_f, kcal/mol:	59.55
Dipole, Da:	2.42
IP(EA), eV:	-8.91(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations