Geometry & MOs

Info

ID:	151899
PubChem CID:	56310723
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-83.92
Dipole, Da:	6.06
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-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=NC=C(C=C3)Cl

DOS

IR

Vibrations