Geometry & MOs

Info

ID:	367057
PubChem CID:	127323040
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	5.58
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,3-benzoxazol-2-yl)-N-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C2=NC=NC(=C2)N3CCCC(C3)CO

DOS

IR

Vibrations