Geometry & MOs

Info

ID:	163043
PubChem CID:	57581460
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	580.257337
ΔH_f, kcal/mol:	-170.37
Dipole, Da:	6.13
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]-6-phenylpyridin-4-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C(=O)CCC(=O)O)OCC

DOS

IR

Vibrations