Geometry & MOs

Info

ID:	363108
PubChem CID:	127310141
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	4.95
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations