Geometry & MOs

Info

ID:	242630
PubChem CID:	97857630
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	49.93
Dipole, Da:	7.38
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-methyl-4-[[[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]amino]methyl]pyrazol-3-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CN(CCO1)C)NCC2=CN(N=C2C3=CC=C(C=C3)C#N)C

DOS

IR

Vibrations