Geometry & MOs

Info

ID:	328225
PubChem CID:	126699954
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	125.084064
ΔH_f, kcal/mol:	-17.37
Dipole, Da:	9.03
IP(EA), eV:	-8.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-amino-4-methylhexa-1,3,5-trien-3-ol

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)C3=NC4=C5N3CCCOC5=CC(=C4)N[C@@H](C6CC6)C(=O)N)N=C(O2)N

DOS

IR

Vibrations