Geometry & MOs

Info

ID:	355676
PubChem CID:	127289657
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	7.03
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N,5-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations