Geometry & MOs

Info

ID:	320355
PubChem CID:	126659728
Reduced:	ClNO6C22H24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	449.227869
ΔH_f, kcal/mol:	-244.47
Dipole, Da:	1.94
IP(EA), eV:	-9.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(2,3-difluorophenyl)methyl]-5-ethyl-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]-4,5-dimethyl-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C[C@@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)Cl)NC(=O)C(=O)O)O

DOS

IR

Vibrations