Geometry & MOs

Info

ID:	245750
PubChem CID:	103023817
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-18.16
Dipole, Da:	4.94
IP(EA), eV:	-9.33(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations