Geometry & MOs

Info

ID:	444424
PubChem CID:	135262363
Reduced:	ON7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	495.183044
ΔH_f, kcal/mol:	98.29
Dipole, Da:	3.91
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-3-yl]-formylamino]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)OCCCCN(C)C

DOS

IR

Vibrations