Geometry & MOs

Info

ID:	148620
PubChem CID:	53788288
Reduced:	BON4C34H64 (1)
Stoich.:	ABC4D34E64 (1)
Weight, g/mol:	296.344301
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	7.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751964
Charge, e:	0

Chem-info

IUPAC name:

8,12-dimethylnonadecane

Drug info:

PubChemData

Smile

[B](C)C1=C(N2C3CC(CC(C3NC(=O)C2=N1)C)N)C.CCCCCCCC(C)CCCC(C)CCCCCCC

DOS

IR

Vibrations