Geometry & MOs

Info

ID:	152124
PubChem CID:	56310986
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	417.186398
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	5.68
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4-difluoroanilino)-2-oxoethyl]-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)NCCCC3=CC=CC=C3

DOS

IR

Vibrations