Geometry & MOs

Info

ID:	154111
PubChem CID:	56313500
Reduced:	O2F3N3C21H22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	418.16166
ΔH_f, kcal/mol:	-172.05
Dipole, Da:	4.92
IP(EA), eV:	-9.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)/C=C/C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations