Geometry & MOs

Info

ID:	444001
PubChem CID:	135260967
Reduced:	O3N5C29H33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	451.166269
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	2.6
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)OC4=C5C(=CNC5=NC=C4)CCO)N

DOS

IR

Vibrations