Geometry & MOs

Info

ID:	166298
PubChem CID:	74666520
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	398.16353
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	5.41
IP(EA), eV:	-9.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC=C(C=C1)C#N)NC(=O)C

DOS

IR

Vibrations