Geometry & MOs

Info

ID:	363161
PubChem CID:	127310194
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	2.59
IP(EA), eV:	-9.0(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations