Geometry & MOs

Info

ID:	431653
PubChem CID:	135171749
Reduced:	SN3O4C21H35 (1)
Stoich.:	AB3C4D21E35 (1)
Weight, g/mol:	237.15175
ΔH_f, kcal/mol:	-188.22
Dipole, Da:	5.23
IP(EA), eV:	-8.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-7-(4-ethenylphenyl)-2,5-dimethylhepta-2,4-dien-6-yn-1-amine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)S(=O)(=O)C)N

DOS

IR

Vibrations