Geometry & MOs

Info

ID:	420297
PubChem CID:	135112295
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	360.206245
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	3.33
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=C(C=C3)C(=O)N4CCCCC4)C(=O)O

DOS

IR

Vibrations