Geometry & MOs

Info

ID:	206020
PubChem CID:	80189522
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	6.03
IP(EA), eV:	-9.36(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-amino-5-[(2-methylpropan-2-yl)oxymethyl]benzoate

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(C2CC2)C(=O)O)CC

DOS

IR

Vibrations