Geometry & MOs

Info

ID:	380406
PubChem CID:	134970850
Reduced:	ClNOC6H11 (1)
Stoich.:	ABCD6E11 (1)
Weight, g/mol:	380.1003
ΔH_f, kcal/mol:	-19.86
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.760197
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(2-morpholin-4-yl-1,3-selenazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(N=O)[ClH+]

DOS

IR

Vibrations