Geometry & MOs

Info

ID:	363119
PubChem CID:	127310152
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	6.63
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations