Geometry & MOs

Info

ID:	201587
PubChem CID:	79559910
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	264.200177
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	2.26
IP(EA), eV:	-8.87(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(azepan-2-yl)propan-2-yl]-2-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(CC2CCCCCN2)O)C

DOS

IR

Vibrations