Geometry & MOs

Info

ID:	350253
PubChem CID:	127277331
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	5.33
IP(EA), eV:	-9.13(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(C)NC(=O)NCCOC2CCCC2)C

DOS

IR

Vibrations