Geometry & MOs

Info

ID:	365303
PubChem CID:	127317670
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	376.29506
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	4.38
IP(EA), eV:	-9.38(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C2CC2)C(=O)CN3CCOC(C3)C#N

DOS

IR

Vibrations