Geometry & MOs

Info

ID:	183962
PubChem CID:	77094731
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	35.91
Dipole, Da:	4.32
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(O2)C3=CC=CC=C3C#N)C(=O)C4=CC=CN4

DOS

IR

Vibrations