Geometry & MOs

Info

ID:	399135
PubChem CID:	135038079
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	213.139174
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	3.99
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(E)-(2-hex-1-ynylphenyl)methylideneamino]-methylazanide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=C(NC3=CC=CC=C32)N

DOS

IR

Vibrations