Geometry & MOs

Info

ID:	348460
PubChem CID:	127273561
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	7.18
IP(EA), eV:	-9.49(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CC(CC2)NC(=O)CC(C)NC(=O)C3CCCC3

DOS

IR

Vibrations