Geometry & MOs

Info

ID:	417736
PubChem CID:	135102626
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	255.140533
ΔH_f, kcal/mol:	23.73
Dipole, Da:	7.87
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[1-(1-methylpyrazol-4-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCCNC3=NC(=CN=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations