Geometry & MOs

Info

ID:	365394
PubChem CID:	127317793
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	361.284161
ΔH_f, kcal/mol:	-127.56
Dipole, Da:	6.46
IP(EA), eV:	-8.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-(2,5-ditert-butylpyrazol-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)NCC3(CCOC3)C

DOS

IR

Vibrations