Geometry & MOs

Info

ID:	48337
PubChem CID:	10539005
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.099397
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	2.47
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-hexanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=CC(=N1)C2=NC=C(C=C2)C)C

DOS

IR

Vibrations