Geometry & MOs

Info

ID:	227393
PubChem CID:	87561624
Reduced:	ClON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	147.008706
ΔH_f, kcal/mol:	37.84
Dipole, Da:	5.04
IP(EA), eV:	-9.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(methylamino)-4-oxobut-2-enoyl chloride

Drug info:

PubChemData

Smile

CC1(CC1)NC2=NC(=NC3=C2OC=C3)Cl

DOS

IR

Vibrations