Geometry & MOs

Info

ID:	185645
PubChem CID:	77324514
Reduced:	BrN2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	367.065901
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	1.83
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-nitropyrazolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=O)N=C(O2)NC(C)C(=O)O)Br

DOS

IR

Vibrations