Geometry & MOs

Info

ID:	255729
PubChem CID:	103134321
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	45.29
Dipole, Da:	2.35
IP(EA), eV:	-8.63(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCCNC(C1=CC2=C(CCC2)C=C1)C3=NN(C=C3)C

DOS

IR

Vibrations