Geometry & MOs

Info

ID:	54569
PubChem CID:	17388917
Reduced:	ClN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	364.080769
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	4.13
IP(EA), eV:	-8.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-8-methoxy-2-(3-nitrophenyl)chromeno[4,3-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC1CC2=C(C(N1)C3=CC(=C(C(=C3)OC)OC)OC)NC4=CC=CC=C24.Cl

DOS

IR

Vibrations