Geometry & MOs

Info

ID:	130199
PubChem CID:	51075232
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	49.87
Dipole, Da:	5.22
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]ethyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CS1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations