Geometry & MOs

Info

ID:	152650
PubChem CID:	56311674
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-19.28
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCCN(CC3)CC4=CC=CC=C4F)C=C1

DOS

IR

Vibrations