Geometry & MOs

Info

ID:	83587
PubChem CID:	49858399
Reduced:	OF2N7H13C14 (1)
Stoich.:	AB2C7D13E14 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	8.71
IP(EA), eV:	-8.59(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)prop-2-enoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations