Geometry & MOs

Info

ID:	179220
PubChem CID:	76453226
Reduced:	N2O6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	523.25073
ΔH_f, kcal/mol:	-214.29
Dipole, Da:	4.21
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,3-difluoro-5-[4-(3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)triazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C(=O)C2)(C)C=NOCCCN)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations