Geometry & MOs

Info

ID:	324404
PubChem CID:	126677600
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-33.76
Dipole, Da:	3.21
IP(EA), eV:	-8.23(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-amino-3-oxobutyl]-7-(diethylamino)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(O)O[C@H]1CCN(C1)C2=NN(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations