Geometry & MOs

Info

ID:	425759
PubChem CID:	135127876
Reduced:	ClFON4H12C20 (1)
Stoich.:	ABCD4E12F20 (1)
Weight, g/mol:	515.232125
ΔH_f, kcal/mol:	37.78
Dipole, Da:	2.49
IP(EA), eV:	-9.25(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-methoxy-2-pyridin-3-yl-5H-cyclohepta[d]pyrimidin-4-yl)amino]-N-(1,2,3,4-tetrahydroazulen-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)C=O)C(=N2)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations