Geometry & MOs

Info

ID:	227974
PubChem CID:	87563156
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	-189.03
Dipole, Da:	5.05
IP(EA), eV:	-9.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzonitrile;N'-hydroxybenzenecarboximidamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCC(C(=O)[C@@H](CCCCN)N)C(=O)O)NC(=O)N2

DOS

IR

Vibrations