Geometry & MOs

Info

ID:	432070
PubChem CID:	135172202
Reduced:	FN8C25H31 (1)
Stoich.:	AB8C25D31 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	86.07
Dipole, Da:	8.2
IP(EA), eV:	-8.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C/C(=C\C=C(/N=C)\N(C)C)/C1=C(N=C(N=C1NC)N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations