Geometry & MOs

Info

ID:	416086
PubChem CID:	135089094
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-75.99
Dipole, Da:	2.82
IP(EA), eV:	-9.38(-0.93)
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)-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations