Geometry & MOs

Info

ID:	414388
PubChem CID:	135087345
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	348.08116
ΔH_f, kcal/mol:	27.72
Dipole, Da:	2.61
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations