Geometry & MOs

Info

ID:	444022
PubChem CID:	135261055
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	4.09
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C(CC1=CC=C(C=C1)OC2=C3C=CNC3=NC=C2)NCC4CCCCC4

DOS

IR

Vibrations