Geometry & MOs

Info

ID:	325100
PubChem CID:	126680642
Reduced:	O3H24C28 (1)
Stoich.:	A3B24C28 (1)
Weight, g/mol:	525.191164
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,2-difluorocyclopropyl)methoxy]-6-[4-(2H-indazol-3-yl)piperidin-1-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)OC(=O)COCC4=CC=CC=C4

DOS

IR

Vibrations