Geometry & MOs

Info

ID:	444074
PubChem CID:	135261219
Reduced:	ClN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	461.156241
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	2.31
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCO3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations