Geometry & MOs

Info

ID:	363511
PubChem CID:	127311590
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	5.13
IP(EA), eV:	-9.11(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2CC2)NC(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations