Geometry & MOs

Info

ID:	363516
PubChem CID:	127311595
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	368.164854
ΔH_f, kcal/mol:	-16.98
Dipole, Da:	6.36
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCCC4=C(N(N=C4C)C)C

DOS

IR

Vibrations