Geometry & MOs

Info

ID:	318231
PubChem CID:	126649912
Reduced:	N4C10H11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	822.652611
ΔH_f, kcal/mol:	142.65
Dipole, Da:	5.06
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-[3-(2-carboxyethyl)-2-methyl-3-phenylpentadecan-2-yl]phenyl]propan-2-yl]-4-phenylhexadecanoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C1)C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N)N

DOS

IR

Vibrations