Geometry & MOs

Info

ID:	144888
PubChem CID:	53428621
Reduced:	NO2C22H37 (1)
Stoich.:	AB2C22D37 (1)
Weight, g/mol:	170.203451
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	1.7
IP(EA), eV:	-10.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-propan-2-ylheptane

Drug info:

PubChemData

Smile

CC(C)(C)CCCCCCCCC(C)(C)COC(=O)C1=CN=CC=C1

DOS

IR

Vibrations