Geometry & MOs

Info

ID:	150583
PubChem CID:	53790276
Reduced:	ClN3C23H26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	55.34
Dipole, Da:	2.76
IP(EA), eV:	-8.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyloctyl)hexanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)N4CCN(CC4)C

DOS

IR

Vibrations