Geometry & MOs

Info

ID:	70243
PubChem CID:	48409698
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-51.07
Dipole, Da:	4.82
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)/C=C/C2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations