Geometry & MOs

Info

ID:	421107
PubChem CID:	135115389
Reduced:	O4N5C26H39 (1)
Stoich.:	A4B5C26D39 (1)
Weight, g/mol:	363.140533
ΔH_f, kcal/mol:	-138.17
Dipole, Da:	5.47
IP(EA), eV:	-8.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CCN1CCOC2=C(C=CC(=C2)C3=NC=CN3CCNC(=O)[C@H](NC(=O)C1)C(C)C)OC

DOS

IR

Vibrations