Geometry & MOs

Info

ID:	275728
PubChem CID:	103817294
Reduced:	ClOSN4H9C10 (1)
Stoich.:	ABCD4E9F10 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	28.99
Dipole, Da:	3.48
IP(EA), eV:	-9.47(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylimidazole-4-carbonyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations