Geometry & MOs

Info

ID:	196293
PubChem CID:	78805735
Reduced:	NCl2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	3.73
IP(EA), eV:	-9.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations