Geometry & MOs

Info

ID:	415042
PubChem CID:	135088028
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	361.226646
ΔH_f, kcal/mol:	8.49
Dipole, Da:	5.21
IP(EA), eV:	-8.51(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(1-ethylindol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCC2)N3C[C@@H]4COC[C@H](C3)N(C4=O)C

DOS

IR

Vibrations