Geometry & MOs

Info

ID:	416004
PubChem CID:	135089009
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	3.4
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(thiophen-2-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=CC=CC=C4OC=C3)CO

DOS

IR

Vibrations