Geometry & MOs

Info

ID:	423749
PubChem CID:	135120153
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	400.226312
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	5.84
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(6,7,8,9-tetrahydro-5H-carbazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2CC[C@H](C1)N(C2)CC3=CC(=CC=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations