Geometry & MOs

Info

ID:	128957
PubChem CID:	51064210
Reduced:	ClN4O4C14H17 (1)
Stoich.:	AB4C4D14E17 (1)
Weight, g/mol:	172.121178
ΔH_f, kcal/mol:	-63.48
Dipole, Da:	3.71
IP(EA), eV:	-9.87(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(propan-2-ylideneamino)pentanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C/C(=N/NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/C

DOS

IR

Vibrations