Geometry & MOs

Info

ID:	70232
PubChem CID:	48409650
Reduced:	O2S2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	4.92
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-naphthalen-1-yloxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CSC(=N2)C3=CSC=C3

DOS

IR

Vibrations