Geometry & MOs

Info

ID:	191560
PubChem CID:	78164005
Reduced:	FPCl2N3O5C19H21 (1)
Stoich.:	ABC2D3E5F19G21 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	-277.21
Dipole, Da:	4.53
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[2-[2-(1-naphthalen-1-ylethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C2=NC=C(C=C2)C3=CC=C(C=C3)C(C(CF)NC(=O)C(Cl)Cl)OP(=O)(O)O)N

DOS

IR

Vibrations