Geometry & MOs

Info

ID:	402234
PubChem CID:	135055088
Reduced:	NO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	425.284972
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	2.99
IP(EA), eV:	-9.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[(E)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]pyrazol-1-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)N1[C@H]([C@H](C1=O)C(=O)OC)CC(=O)OC

DOS

IR

Vibrations