Geometry & MOs

Info

ID:	245823
PubChem CID:	103024106
Reduced:	ON2F3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-136.12
Dipole, Da:	5.7
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pentan-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations