Geometry & MOs

Info

ID:	422137
PubChem CID:	135117272
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	406.113333
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	5.42
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C2C(=CC=C1)C3=CC=CC=C3O2)[C@@H]4C[C@@H]5CC(=O)NC[C@@H]5C4

DOS

IR

Vibrations