Geometry & MOs

Info

ID:	425756
PubChem CID:	135127841
Reduced:	ClN5C24H24 (1)
Stoich.:	AB5C24D24 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	136.8
Dipole, Da:	6.69
IP(EA), eV:	-8.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(6-methoxy-2-pyridin-3-yl-9H-cyclohepta[d]pyrimidin-4-yl)amino]benzaldehyde

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=CC1)Cl)N=C(CC2=CN=CC=C2)N)NC3=CCC=C(C=C3)C#N

DOS

IR

Vibrations