Geometry & MOs

Info

ID:	269159
PubChem CID:	103616147
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	328.09504
ΔH_f, kcal/mol:	40.35
Dipole, Da:	1.7
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[(2-bromo-4-fluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCNCC2=CC=CC=C2C#N

DOS

IR

Vibrations