Geometry & MOs

Info

ID:	444063
PubChem CID:	135261205
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	3.88
IP(EA), eV:	-8.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC3=C2C(=NC=C3)NC(C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations