Geometry & MOs

Info

ID:	126748
PubChem CID:	50976671
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	1.53
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(dipropylamino)methyl]benzoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)NCC2=NC3=C(O2)C=CC(=C3)C(C)(C)C)C

DOS

IR

Vibrations