Geometry & MOs

Info

ID:	232667
PubChem CID:	87576672
Reduced:	ClO2N5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	576.2584
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	3.3
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy hydrogen carbonate;N,4-ditert-butyl-3-[3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC2=C1N=CC(=C2)CN3CC(C4=C3N=C(N=C4Cl)N)CO

DOS

IR

Vibrations