Geometry & MOs

Info

ID:	121056
PubChem CID:	50754341
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	3.03
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)C)N4CCCC4

DOS

IR

Vibrations