Geometry & MOs

Info

ID:	446992
PubChem CID:	135279371
Reduced:	F2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	425.155098
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	1.34
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-[[4-[(3,4-difluorophenyl)methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3F)CCF)NN=C2

DOS

IR

Vibrations