Geometry & MOs

Info

ID:	245792
PubChem CID:	103023960
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-18.7
Dipole, Da:	4.03
IP(EA), eV:	-9.48(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminocycloheptyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(CCN)C(=O)CCC1=CC=NN1C

DOS

IR

Vibrations