Geometry & MOs

Info

ID:	418610
PubChem CID:	135106206
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	463.156577
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	5.39
IP(EA), eV:	-9.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations