Geometry & MOs

Info

ID:	212076
PubChem CID:	81059392
Reduced:	OCl2N2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	256.251464
ΔH_f, kcal/mol:	-40.87
Dipole, Da:	3.49
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-N-(2-ethoxyethyl)-4-ethyl-N-methylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CCOCCN(C)C(CN)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations