Geometry & MOs

Info

ID:	73440
PubChem CID:	48417706
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	397.155705
ΔH_f, kcal/mol:	-4.24
Dipole, Da:	5.04
IP(EA), eV:	-8.18(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)C)Cl

DOS

IR

Vibrations