Geometry & MOs

Info

ID:	269344
PubChem CID:	103617064
Reduced:	FNO2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	325.0136
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	1.24
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNCCC2=CC(=CC=C2)OC)F

DOS

IR

Vibrations