Geometry & MOs

Info

ID:	422722
PubChem CID:	135118300
Reduced:	NSO4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	5.06
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-hydroxy-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=C4C(=CC=C3)OCCO4)C5=C1SC=C5

DOS

IR

Vibrations