Geometry & MOs

Info

ID:	432885
PubChem CID:	135173022
Reduced:	NSC5H9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	26.1
Dipole, Da:	2.43
IP(EA), eV:	-8.71(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-formylmorpholin-2-yl)-1-methylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C[C@H]2SC1

DOS

IR

Vibrations