Geometry & MOs

Info

ID:	283435
PubChem CID:	103980443
Reduced:	ClNC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	184.193949
ΔH_f, kcal/mol:	22.45
Dipole, Da:	4.11
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)azepan-4-amine

Drug info:

PubChemData

Smile

C1CNCC2=CC=CC=C2C1NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations