Geometry & MOs

Info

ID:	352790
PubChem CID:	127283879
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	45.09
Dipole, Da:	7.15
IP(EA), eV:	-9.08(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCCC(C3)N4C=NC=N4)C=C1

DOS

IR

Vibrations