Geometry & MOs

Info

ID:	163925
PubChem CID:	74380853
Reduced:	O2N5C27H39 (1)
Stoich.:	A2B5C27D39 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-24.04
Dipole, Da:	3.3
IP(EA), eV:	-8.55(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-oxazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)CCCNC1C2CC(CCC2NN1)NC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations