Geometry & MOs

Info

ID:	120868
PubChem CID:	50747268
Reduced:	ClO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	5.1
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3N(C2=O)C(C)C(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations