Geometry & MOs

Info

ID:	255320
PubChem CID:	103131335
Reduced:	BrN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	78.52
Dipole, Da:	3.72
IP(EA), eV:	-9.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(3-methylfuran-2-yl)-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=NC=C(C=C2)Br)N

DOS

IR

Vibrations