Geometry & MOs

Info

ID:	363513
PubChem CID:	127311592
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	386.155432
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	2.97
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)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)NC(C)C4CCCO4

DOS

IR

Vibrations