Geometry & MOs

Info

ID:	202122
PubChem CID:	79631577
Reduced:	SN2O2C8H16 (1)
Stoich.:	AB2C2D8E16 (1)
Weight, g/mol:	245.048653
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	4.77
IP(EA), eV:	-9.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichloropyrimidin-4-yl)azepane

Drug info:

PubChemData

Smile

CC(C)(CSC1COC1)C(=O)NN

DOS

IR

Vibrations