Geometry & MOs

Info

ID:	280869
PubChem CID:	103851686
Reduced:	ON2C8H15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	2.79
IP(EA), eV:	-8.86(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CNCC(C)CN(C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations