Geometry & MOs

Info

ID:	363784
PubChem CID:	127313424
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	5.74
IP(EA), eV:	-8.97(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations