Geometry & MOs

Info

ID:	126840
PubChem CID:	50980978
Reduced:	O2N7C12H13 (1)
Stoich.:	A2B7C12D13 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	57.2
Dipole, Da:	4.58
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-(2-pyrazol-1-ylethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NNC2=O)CC3=NNN=N3

DOS

IR

Vibrations