Geometry & MOs

Info

ID:	416704
PubChem CID:	135090136
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	5.97
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C(=O)C3CC(=O)N(C3)CC=C

DOS

IR

Vibrations