Geometry & MOs

Info

ID:	342612
PubChem CID:	127265772
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.6
IP(EA), eV:	-9.11(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-3-methylphenyl)-3-(1,5-dimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC=CCCNC1CCCCC1C(=O)N

DOS

IR

Vibrations