Geometry & MOs

Info

ID:	152532
PubChem CID:	56311486
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	445.217698
ΔH_f, kcal/mol:	-223.56
Dipole, Da:	5.52
IP(EA), eV:	-8.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(2,6-difluorophenyl)ethylamino]-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)NC3CCC4(CC3)OCCO4

DOS

IR

Vibrations