Geometry & MOs

Info

ID:	363887
PubChem CID:	127313544
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	6.29
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC=C2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations