Geometry & MOs

Info

ID:	372449
PubChem CID:	131297824
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	7.57
Dipole, Da:	2.43
IP(EA), eV:	-8.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-ethylthiophen-3-yl)-(4-methyl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)C2=CC(=CN2C)N

DOS

IR

Vibrations