Geometry & MOs

Info

ID:	324343
PubChem CID:	126677474
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	418.135365
ΔH_f, kcal/mol:	116.13
Dipole, Da:	1.12
IP(EA), eV:	-8.4(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-7-methoxyquinolin-4-amine

Drug info:

PubChemData

Smile

C1C=CC=CC1CN2CC3CC4CC45CC2C5C3

DOS

IR

Vibrations