Geometry & MOs

Info

ID:	142853
PubChem CID:	53103257
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	481.236542
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	3.65
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NOC(=N3)C(C(C)C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations