Geometry & MOs

Info

ID:	378481
PubChem CID:	134224564
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	454.266794
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	5.71
IP(EA), eV:	-8.88(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-3-propan-2-yl-7-[2-[5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]propyl]-4,6,7,8-tetrahydro-1H-pyrazolo[4,3-c]azepine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CNC4=C3CNCC4

DOS

IR

Vibrations