Geometry & MOs

Info

ID:	427663
PubChem CID:	135161061
Reduced:	F2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	488.244836
ΔH_f, kcal/mol:	-2.5
Dipole, Da:	2.52
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-6-fluoro-5-methoxycyclohepta-1,3,5-trien-1-yl)-N-(1H-imidazol-2-ylmethyl)-2-methyl-4-(1-methylpyrazol-4-yl)-1,3,6-triazecin-10-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC=C1F)C2=NN(C(=C2)CC)CC3=CC=CC=C3F

DOS

IR

Vibrations