Geometry & MOs

Info

ID:	414310
PubChem CID:	135087266
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-92.49
Dipole, Da:	7.31
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CC[C@H]([C@H](C3)C(=O)O)O)C

DOS

IR

Vibrations