Geometry & MOs

Info

ID:	176498
PubChem CID:	76060479
Reduced:	N4O9H26C36 (1)
Stoich.:	A4B9C26D36 (1)
Weight, g/mol:	185.080041
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	8.04
IP(EA), eV:	-10.05(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(prop-2-enoylamino)butanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])N=CC3C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations