Geometry & MOs

Info

ID:	150941
PubChem CID:	53790638
Reduced:	N2O7C27H30 (1)
Stoich.:	A2B7C27D30 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	4.45
IP(EA), eV:	-9.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyphenyl)-2-methylidenepentanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C(C)C)C(C3=CC=CC=C3)OC)C

DOS

IR

Vibrations