Geometry & MOs

Info

ID:	440682
PubChem CID:	135230936
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	155.1674
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	7.52
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-methylideneheptan-1-amine

Drug info:

PubChemData

Smile

CCCCC/C(=C/C#C)/C(=C(\CC1C=C(CCC1C(=C)C)C)/O)/C(=O)O

DOS

IR

Vibrations