Geometry & MOs

Info

ID:	29484
PubChem CID:	834177
Reduced:	FO2N5H10C16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	310.99795
ΔH_f, kcal/mol:	9.62
Dipole, Da:	2.58
IP(EA), eV:	-9.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-1-thiophen-2-ylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=NC=NN4)F

DOS

IR

Vibrations