Geometry & MOs

Info

ID:	141261
PubChem CID:	52849421
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	313.202836
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	10.58
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-(N-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]anilino)ethyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)N3CCOC3=O)F

DOS

IR

Vibrations