Geometry & MOs

Info

ID:	121059
PubChem CID:	50754362
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	3.63
IP(EA), eV:	-8.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)OC)N4CCCCC4

DOS

IR

Vibrations