Geometry & MOs

Info

ID:	256893
PubChem CID:	103142194
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	3.81
IP(EA), eV:	-9.83(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CC2CCC(O2)C)C#N

DOS

IR

Vibrations