Geometry & MOs

Info

ID:	360286
PubChem CID:	127300929
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	2.68
IP(EA), eV:	-8.88(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations