Geometry & MOs

Info

ID:	184026
PubChem CID:	77102322
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	7.94
IP(EA), eV:	-9.43(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(CC)CC1=CC=NC=C1)C(=O)O

DOS

IR

Vibrations