Geometry & MOs

Info

ID:	165666
PubChem CID:	74582493
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	4.3
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azaniumylmethyl)-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=CC=C2C=CC(=O)O

DOS

IR

Vibrations