Geometry & MOs

Info

ID:	42965
PubChem CID:	10317448
Reduced:	NSO4H15C21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	377.162708
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	3.34
IP(EA), eV:	-9.05(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)SCC4=CC=NC=C4)O

DOS

IR

Vibrations