Geometry & MOs

Info

ID:	271390
PubChem CID:	103673565
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-63.15
Dipole, Da:	1.38
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC2=CC(=CS2)Br

DOS

IR

Vibrations