Geometry & MOs

Info

ID:	252599
PubChem CID:	103112566
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	4.03
IP(EA), eV:	-10.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCC(C)CN1C(=C(N=N1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations