Geometry & MOs

Info

ID:	126191
PubChem CID:	50955027
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	22.55
Dipole, Da:	3.25
IP(EA), eV:	-7.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NCCSC2=NNN=C2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations