Geometry & MOs

Info

ID:	126841
PubChem CID:	50981052
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	23.85
Dipole, Da:	1.94
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC2=CCN(CC2)CCN3C=CC=N3

DOS

IR

Vibrations