Geometry & MOs

Info

ID:	363276
PubChem CID:	127310431
Reduced:	SO2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-7.63
Dipole, Da:	6.6
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2,6-diethylphenyl)-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations