Geometry & MOs

Info

ID:	368457
PubChem CID:	127328742
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	2.67
IP(EA), eV:	-9.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NCC3(CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations