Geometry & MOs

Info

ID:	185510
PubChem CID:	77308736
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	428.10592
ΔH_f, kcal/mol:	-106.59
Dipole, Da:	2.2
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(5-bromopyrimidin-2-yl)oxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=O)C2C(CN1)ONC2C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations