Geometry & MOs

Info

ID:	160020
PubChem CID:	57304389
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	70.15
Dipole, Da:	3.71
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC2=C(C=NC=C2)N

DOS

IR

Vibrations