Geometry & MOs

Info

ID:	430911
PubChem CID:	135170981
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	2.15
IP(EA), eV:	-8.9(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-ethyl-1-N-(1-phenylcyclopropyl)cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC2(CC2)C3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations