Geometry & MOs

Info

ID:	368458
PubChem CID:	127328743
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	9.87
Dipole, Da:	7.06
IP(EA), eV:	-9.1(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC2)NC(=O)N3CCCC(C3)CN4C(=NC(=N4)C)C

DOS

IR

Vibrations