Geometry & MOs

Info

ID:	89483
PubChem CID:	49962058
Reduced:	N3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	176.084217
ΔH_f, kcal/mol:	-15.51
Dipole, Da:	6.14
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(aminomethyl)hepta-1,6-dien-4-ol;chloride

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3C4=C(C=C(C=C4)N)OC(=C3C#N)N

DOS

IR

Vibrations