Geometry & MOs

Info

ID:	422838
PubChem CID:	135118494
Reduced:	O4N5C28H33 (1)
Stoich.:	A4B5C28D33 (1)
Weight, g/mol:	373.226646
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	6.96
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCOC4=CC=CC(=C4)CC(=O)N5C[C@H]6CC[C@@H](C5)N(C6)C2)N=N3

DOS

IR

Vibrations