Geometry & MOs

Info

ID:	390700
PubChem CID:	135000412
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	8.65
IP(EA), eV:	-9.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-2-[(2R)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutan-2-yl]propanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(C#N)([C@@H](CC(=O)NC(=O)C1=CC=CC=C1)C2=CC=CC=C2)NCC3=CC=CC=C3

DOS

IR

Vibrations