Geometry & MOs

Info

ID:	420446
PubChem CID:	135113184
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	3.82
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)N4CCCC(C4)CN

DOS

IR

Vibrations