Geometry & MOs

Info

ID:	186592
PubChem CID:	77450890
Reduced:	O2N7C21H29 (1)
Stoich.:	A2B7C21D29 (1)
Weight, g/mol:	384.206245
ΔH_f, kcal/mol:	21.29
Dipole, Da:	3.48
IP(EA), eV:	-8.42(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]triazol-4-yl]-1H-indazole

Drug info:

PubChemData

Smile

C1CC2C(CC1CN)NNC2C3=CN(N=N3)C4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations