Geometry & MOs

Info

ID:	445493
PubChem CID:	135267381
Reduced:	ClN4H19C24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	151.0
Dipole, Da:	4.09
IP(EA), eV:	-8.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4,8-dimethylnonyl]-1,3-dioxolane

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C(=C3CC3)C=CC4=CN=C5C=CC(=NC5=C42)Cl

DOS

IR

Vibrations