Geometry & MOs

Info

ID:	157720
PubChem CID:	56436657
Reduced:	OBr2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	25.7
Dipole, Da:	3.31
IP(EA), eV:	-8.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CNCC2=C(C(=CC(=C2)Br)Br)OC

DOS

IR

Vibrations