Geometry & MOs

Info

ID:	149934
PubChem CID:	53789616
Reduced:	BrON4H11C16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	72.22
Dipole, Da:	5.83
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(pyridin-4-ylmethyl)amino]ethyl 3-iminobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C=CN=C2NC3=CC(=C(C=C3)C#N)O)Br

DOS

IR

Vibrations