Geometry & MOs

Info

ID:	128317
PubChem CID:	51038836
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	426.181567
ΔH_f, kcal/mol:	-32.5
Dipole, Da:	5.74
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-5-[2-(3,5-dimethoxyphenyl)ethyl]-8-fluoro-[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=CC(=NN1C2=CC=CC=N2)C3=CC=CC(=C3)C4=CC=CC(=C4)C=O

DOS

IR

Vibrations