Geometry & MOs

Info

ID:	242961
PubChem CID:	99214529
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	6.04
IP(EA), eV:	-8.09(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC(=CC=C1)N2CCN(CC2)CC3CC3)NC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations