Geometry & MOs

Info

ID:	387323
PubChem CID:	134984932
Reduced:	O2N5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	355.05315
ΔH_f, kcal/mol:	57.17
Dipole, Da:	5.87
IP(EA), eV:	-9.77(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2-bromoethylimino)hydrazinyl]-3-propanoylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)NN=NCC#N)C#N

DOS

IR

Vibrations