Geometry & MOs

Info

ID:	138766
PubChem CID:	52423253
Reduced:	ClFN2O2C18H20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	375.190654
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	0.86
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC(=O)C1=C(C=C(C=C1)F)Cl)C2=CC(=CC=C2)OC

DOS

IR

Vibrations