Geometry & MOs

Info

ID:	363165
PubChem CID:	127310198
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-151.27
Dipole, Da:	5.69
IP(EA), eV:	-8.98(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCOC(C2)CN3C=C(C=N3)C

DOS

IR

Vibrations