Geometry & MOs

Info

ID:	299355
PubChem CID:	117682722
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	87.18
Dipole, Da:	2.81
IP(EA), eV:	-9.31(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-3-[4-[4-(4-aminophenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C2CNC2)C3=CN=C(N=C3)N

DOS

IR

Vibrations