Geometry & MOs

Info

ID:	154011
PubChem CID:	56313371
Reduced:	O2F3N5C22H24 (1)
Stoich.:	A2B3C5D22E24 (1)
Weight, g/mol:	463.146739
ΔH_f, kcal/mol:	-167.24
Dipole, Da:	7.45
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-5-nitro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4)C

DOS

IR

Vibrations