Geometry & MOs

Info

ID:	147868
PubChem CID:	53787526
Reduced:	N2O3C37H48 (1)
Stoich.:	A2B3C37D48 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	6.0
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(dimethylamino)-5-oxopentanoyl]amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CCCCCCC2=NC(=CC=C2)C=CC3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O

DOS

IR

Vibrations