Geometry & MOs

Info

ID:	1234
PubChem CID:	4024
Reduced:	N2C23H36 (1)
Stoich.:	A2B23C36 (1)
Weight, g/mol:	340.287849
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	3.05
IP(EA), eV:	-8.77(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylcyclopentyl)-1-azacyclotridecen-2-amine

Drug info:

PubChemData

Smile

C1CCCCCC(=NCCCCC1)NC2CCCC2C3=CC=CC=C3

DOS

IR

Vibrations