Geometry & MOs

Info

ID:	283437
PubChem CID:	103980561
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	261.220498
ΔH_f, kcal/mol:	26.12
Dipole, Da:	2.15
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azepan-4-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(CCNC1)NCC2=CC=CC=N2

DOS

IR

Vibrations