Geometry & MOs

Info

ID:	335534
PubChem CID:	127254396
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	227.072848
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	6.42
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations