Geometry & MOs

Info

ID:	121048
PubChem CID:	50754227
Reduced:	Cl2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	8.53
Dipole, Da:	1.9
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl

DOS

IR

Vibrations