Geometry & MOs

Info

ID:	427621
PubChem CID:	135160737
Reduced:	O3N4C8H10 (1)
Stoich.:	A3B4C8D10 (1)
Weight, g/mol:	479.244501
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	5.25
IP(EA), eV:	-10.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-fluoro-3,5-dimethoxyphenyl)-N'-[4-(1-methylpyrazol-4-yl)-3H-pyrido[2,3-b][1,4]diazepin-7-yl]-N-propan-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=NN(C=N1)C2CN(C2)C=O

DOS

IR

Vibrations