Geometry & MOs

Info

ID:	194661
PubChem CID:	78570028
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	9.55
Dipole, Da:	7.39
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-imino-2-oxopentyl) 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations