Geometry & MOs

Info

ID:	363855
PubChem CID:	127313512
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	6.93
IP(EA), eV:	-8.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations