Geometry & MOs

Info

ID:	229773
PubChem CID:	87568917
Reduced:	NO2H13C14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	412.35526
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	3.03
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butyloctyl)-2-methyldodecanedioic acid

Drug info:

PubChemData

Smile

C1CC1COC2=CC=CC(=C2)C(=CC3=CC=C(C=C3)/C=C/C(=O)NO)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations