Geometry & MOs

Info

ID:	261438
PubChem CID:	103234157
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	4.08
IP(EA), eV:	-8.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,4-dimethylanilino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC2=C(SC=C2)C(=O)O)C

DOS

IR

Vibrations