Geometry & MOs

Info

ID:	422145
PubChem CID:	135117290
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	3.09
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(1,5-dimethylpyrazol-4-yl)sulfonyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations