Geometry & MOs

Info

ID:	70238
PubChem CID:	48409678
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	386.186652
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	3.27
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CCCN2C(=NC3=CC=CC=C3C2=O)C

DOS

IR

Vibrations