Geometry & MOs

Info

ID:	174110
PubChem CID:	75725232
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	368.18667
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	5.42
IP(EA), eV:	-9.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(3-chloro-N-(2-hydroxyacetyl)anilino)heptanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C=CC)N(C1=CC(=CC=C1)Cl)C(=O)CO

DOS

IR

Vibrations