Geometry & MOs

Info

ID:	361670
PubChem CID:	127304002
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	14.98
Dipole, Da:	8.34
IP(EA), eV:	-9.28(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)N1CCC(CC1)C2=NN=CN2C3CC3)N4C=CC=N4

DOS

IR

Vibrations