Geometry & MOs

Info

ID:	38546
PubChem CID:	8137029
Reduced:	ClN3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	8.8
IP(EA), eV:	-9.46(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-(cyclopropylamino)-2-oxoethyl]-3-ethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)NC1CC1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations