Geometry & MOs

Info

ID:	206814
PubChem CID:	80304875
Reduced:	BrFN3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	249.129969
ΔH_f, kcal/mol:	17.05
Dipole, Da:	3.54
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-(1,3-thiazol-2-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCN2C3=C(C=C(C=C3)Br)N=C2N

DOS

IR

Vibrations