Geometry & MOs

Info

ID:	200979
PubChem CID:	79468598
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	210.209599
ΔH_f, kcal/mol:	-169.51
Dipole, Da:	3.8
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(cyclopropylmethyl)-1-N-propan-2-ylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCOCC2=O)C=CC(=O)O

DOS

IR

Vibrations