Geometry & MOs

Info

ID:	342924
PubChem CID:	127266087
Reduced:	F2O2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-175.36
Dipole, Da:	4.62
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,2-dimethylcyclopropyl)propylamino]-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)F)F)NC(=O)N2CCC(CC2)[C@H]3[C@@H](CCO3)N

DOS

IR

Vibrations