Geometry & MOs

Info

ID:	155706
PubChem CID:	56367056
Reduced:	N4O4H20C23 (1)
Stoich.:	A4B4C20D23 (1)
Weight, g/mol:	426.115104
ΔH_f, kcal/mol:	-101.55
Dipole, Da:	9.23
IP(EA), eV:	-9.04(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-5-(2,2,2-trifluoroethoxy)benzamide

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations