Geometry & MOs

Info

ID:	152438
PubChem CID:	56311365
Reduced:	F2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-238.89
Dipole, Da:	6.16
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-ylmethyl)-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations