Geometry & MOs

Info

ID:	361999
PubChem CID:	127305345
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	-104.78
Dipole, Da:	3.49
IP(EA), eV:	-9.36(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethoxy)-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations