Geometry & MOs

Info

ID:	183495
PubChem CID:	77029853
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	43.36
Dipole, Da:	3.2
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-3-[(2-methylpyrazol-3-yl)methylamino]-3-phenylpropanimidamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NCC2=CC(=CC=C2)C(=NO)N

DOS

IR

Vibrations