Geometry & MOs

Info

ID:	223346
PubChem CID:	85334895
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	3.48
IP(EA), eV:	-10.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-4-ynyl 4-amino-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC1CC1C2=NC(=O)C(=C)C(=O)N2

DOS

IR

Vibrations