Geometry & MOs

Info

ID:	418955
PubChem CID:	135107218
Reduced:	N3C9H13 (2)
Stoich.:	A3B9C13 (2)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	65.66
Dipole, Da:	5.76
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=NC=C2CN3CCN(CC3)C4=NC=CN=C4

DOS

IR

Vibrations