Geometry & MOs

Info

ID:	49787
PubChem CID:	11533827
Reduced:	FN2O2C14H17 (2)
Stoich.:	AB2C2D14E17 (2)
Weight, g/mol:	528.259737
ΔH_f, kcal/mol:	-232.01
Dipole, Da:	10.75
IP(EA), eV:	-9.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxyethyl)-N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=C(C=CC(=C2)CC(C)(C)C)N3C=C(N=C3)C(=O)O)O

DOS

IR

Vibrations