Geometry & MOs

Info

ID:	149542
PubChem CID:	53789215
Reduced:	O6H16C19 (1)
Stoich.:	A6B16C19 (1)
Weight, g/mol:	172.193949
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	6.55
IP(EA), eV:	-8.54(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-8-methylnonane-1,5-diamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)OC)C=C2C(=O)C3=C(O2)C=CC(=C3)C(=O)O

DOS

IR

Vibrations