Geometry & MOs

Info

ID:	176915
PubChem CID:	76113576
Reduced:	F3N3O8C38H44 (1)
Stoich.:	A3B3C8D38E44 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-451.64
Dipole, Da:	4.87
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N'-hydroxy-N-nitrosoethanimidamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(C4C(CC(O4)N5CC(C(=O)NC5=O)CCCCCCNC(=O)C(F)(F)F)O)O

DOS

IR

Vibrations