Geometry & MOs

Info

ID:	360184
PubChem CID:	127300827
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-185.27
Dipole, Da:	5.83
IP(EA), eV:	-8.68(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations