Geometry & MOs

Info

ID:	363880
PubChem CID:	127313537
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	10.11
IP(EA), eV:	-8.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)C

DOS

IR

Vibrations