Geometry & MOs

Info

ID:	421870
PubChem CID:	135116753
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	4.43
Dipole, Da:	4.5
IP(EA), eV:	-9.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC(=NN12)C)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations