Geometry & MOs

Info

ID:	11931
PubChem CID:	123893
Reduced:	N2C23H36 (1)
Stoich.:	A2B23C36 (1)
Weight, g/mol:	340.287849
ΔH_f, kcal/mol:	-14.07
Dipole, Da:	2.93
IP(EA), eV:	-8.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine

Drug info:

PubChemData

Smile

C1CCCCCC(=NCCCCC1)N[C@@H]2CCC[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations