Geometry & MOs

Info

ID:	444402
PubChem CID:	135262317
Reduced:	NOF6C17H21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	462.136428
ΔH_f, kcal/mol:	-361.47
Dipole, Da:	3.95
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1,3-oxazol-4-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CCOC(C2=CC=C(C=C2)N)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations