Geometry & MOs

Info

ID:	261965
PubChem CID:	103262741
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	6.82
IP(EA), eV:	-9.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[1-(diethylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CNCC(=O)N2CCCCC2)C(=O)O

DOS

IR

Vibrations