Geometry & MOs

Info

ID:	70261
PubChem CID:	48409804
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	6.73
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

DOS

IR

Vibrations