Geometry & MOs

Info

ID:	206220
PubChem CID:	80220690
Reduced:	FO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	3.56
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-5-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)NCC(=NO)N

DOS

IR

Vibrations