Geometry & MOs

Info

ID:	361546
PubChem CID:	127303738
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	39.36
Dipole, Da:	3.77
IP(EA), eV:	-9.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)NCC3=NN=CN3C4CC4

DOS

IR

Vibrations