Geometry & MOs

Info

ID:	431726
PubChem CID:	135171829
Reduced:	ClO2N3C26H36 (1)
Stoich.:	AB2C3D26E36 (1)
Weight, g/mol:	482.278072
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	4.36
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations