Geometry & MOs

Info

ID:	161789
PubChem CID:	57392674
Reduced:	ClO2F3N5H29C30 (1)
Stoich.:	AB2C3D5E29F30 (1)
Weight, g/mol:	477.227709
ΔH_f, kcal/mol:	-164.59
Dipole, Da:	11.15
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[(7-quinolin-8-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)COC2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)CC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations