Geometry & MOs

Info

ID:	370622
PubChem CID:	127339772
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	5.85
IP(EA), eV:	-9.28(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCC(CC1)C2=CN(N=C2)CC)NC(=O)N3CCCC3

DOS

IR

Vibrations