Geometry & MOs

Info

ID:	434765
PubChem CID:	135175671
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	326.1548
ΔH_f, kcal/mol:	-111.06
Dipole, Da:	4.54
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-3-methyl-2-[6-(1-phosphanylethyl)pyridin-3-yl]phenyl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C

DOS

IR

Vibrations