Geometry & MOs

Info

ID:	68566
PubChem CID:	46508656
Reduced:	ClN4O4C19H23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-92.39
Dipole, Da:	6.29
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations