Geometry & MOs

Info

ID:	363151
PubChem CID:	127310184
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	2.41
IP(EA), eV:	-8.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations