Geometry & MOs

Info

ID:	363726
PubChem CID:	127313344
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	2.42
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations