Geometry & MOs

Info

ID:	335596
PubChem CID:	127254458
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	5.07
IP(EA), eV:	-8.2(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations