Geometry & MOs

Info

ID:	190974
PubChem CID:	78088549
Reduced:	NO8C26H31 (1)
Stoich.:	AB8C26D31 (1)
Weight, g/mol:	430.180504
ΔH_f, kcal/mol:	-315.97
Dipole, Da:	4.62
IP(EA), eV:	-8.91(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluoro-1,3-benzoxazol-2-yl)-2-methylpiperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1C2(CC(C(=O)N(C2=CC(O1)C3CCCC3)CC4=CC5=C(C=C4)OCO5)CC(=O)O)C(=O)OC

DOS

IR

Vibrations