Geometry & MOs

Info

ID:	132115
PubChem CID:	51310363
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-151.75
Dipole, Da:	2.83
IP(EA), eV:	-8.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-(4-chlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

DOS

IR

Vibrations