Geometry & MOs

Info

ID:	70250
PubChem CID:	48409733
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	3.1
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)CC2C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations