Geometry & MOs

Info

ID:	256141
PubChem CID:	103137345
Reduced:	N3H13C15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	218.143743
ΔH_f, kcal/mol:	87.11
Dipole, Da:	1.69
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4,4-dimethylpentyl)-5-methyloxolane

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CN=CC=C3)N

DOS

IR

Vibrations