Geometry & MOs

Info

ID:	130193
PubChem CID:	51075209
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	4.41
IP(EA), eV:	-8.77(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-phenylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)CN3CCOCC3

DOS

IR

Vibrations