Geometry & MOs

Info

ID:	370020
PubChem CID:	127337235
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	0.74
Dipole, Da:	6.64
IP(EA), eV:	-8.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations