Geometry & MOs

Info

ID:	70239
PubChem CID:	48409686
Reduced:	FO2N6C19H23 (1)
Stoich.:	AB2C6D19E23 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-33.68
Dipole, Da:	1.49
IP(EA), eV:	-8.97(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-(thiophen-2-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations