Geometry & MOs

Info

ID:	256151
PubChem CID:	103137400
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	258.175043
ΔH_f, kcal/mol:	66.29
Dipole, Da:	3.71
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations