Geometry & MOs

Info

ID:	415581
PubChem CID:	135088577
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	3.76
IP(EA), eV:	-9.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations