Geometry & MOs

Info

ID:	444423
PubChem CID:	135262362
Reduced:	FN7C27H28 (1)
Stoich.:	AB7C27D28 (1)
Weight, g/mol:	417.227709
ΔH_f, kcal/mol:	82.76
Dipole, Da:	1.48
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(dimethylamino)butoxy]pyridin-4-yl]-2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NCC4=C5C(=NC(=NN5C=C4)C6=CC=CC=N6)NC7=C(C=NC=C7)F

DOS

IR

Vibrations