Geometry & MOs

Info

ID:	255979
PubChem CID:	103136038
Reduced:	N2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	19.16
Dipole, Da:	3.64
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCNC(C1=CC=CC2=C1C=NC=C2)C3(CCCC3)C

DOS

IR

Vibrations