Geometry & MOs

Info

ID:	255491
PubChem CID:	103132453
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	268.251464
ΔH_f, kcal/mol:	67.39
Dipole, Da:	3.84
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]-1-N-propylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=CC=CC3=C2C=NC=C3)CN

DOS

IR

Vibrations