Geometry & MOs

Info

ID:	123127
PubChem CID:	50834727
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	3.49
IP(EA), eV:	-8.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzhydrylpiperazin-1-yl)-N-(1,2-benzoxazol-3-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC=CN=C2N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations