Geometry & MOs

Info

ID:	187223
PubChem CID:	77545979
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	1.89
IP(EA), eV:	-9.44(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-3-benzyltriazol-4-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2

DOS

IR

Vibrations