Geometry & MOs

Info

ID:	230586
PubChem CID:	87571436
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	347.078517
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	2.54
IP(EA), eV:	-9.48(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(2-amino-4-ethoxy-5H-pteridin-6-ylidene)-2-chloro-6-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C#CCCC(=O)NCCOCCOCCN

DOS

IR

Vibrations