Geometry & MOs

Info

ID:	152533
PubChem CID:	56311487
Reduced:	F2N3O3C24H29 (1)
Stoich.:	A2B3C3D24E29 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	5.29
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-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)NCCC3=C(C=CC=C3F)F

DOS

IR

Vibrations