Geometry & MOs

Info

ID:	181235
PubChem CID:	76719764
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	510.31071
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	4.55
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-benzyl-4-(1-cyclobutyl-3-propan-2-ylindazol-6-yl)piperazin-1-yl]-2-(5-methyl-4H-pyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)N3CCNC(C3)CC4=CC=CC=C4)C=CC(=N2)OC(F)F

DOS

IR

Vibrations