Geometry & MOs

Info

ID:	353449
PubChem CID:	127285008
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	4.06
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=NOC(=C3)C4=CC=NC=C4

DOS

IR

Vibrations