Geometry & MOs

Info

ID:	345383
PubChem CID:	127269683
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	4.36
IP(EA), eV:	-8.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylcarbamoylamino)pyrazol-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations