Geometry & MOs

Info

ID:	292186
PubChem CID:	114467802
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	2.76
IP(EA), eV:	-9.74(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=C)COCCNC(=O)COCCN

DOS

IR

Vibrations