Geometry & MOs

Info

ID:	418523
PubChem CID:	135105509
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	2.61
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)CC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations