Geometry & MOs

Info

ID:	121055
PubChem CID:	50754340
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	3.97
IP(EA), eV:	-8.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=C(C=CC(=C3)OC)OC)N4CCCCC4

DOS

IR

Vibrations