Geometry & MOs

Info

ID:	415422
PubChem CID:	135088416
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-42.46
Dipole, Da:	4.33
IP(EA), eV:	-8.35(-0.28)
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]-(4-propan-2-yloxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NCC2=CN=C(N2C)SC

DOS

IR

Vibrations