Geometry & MOs

Info

ID:	264474
PubChem CID:	103463619
Reduced:	ClN7C11H16 (1)
Stoich.:	AB7C11D16 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	86.82
Dipole, Da:	5.04
IP(EA), eV:	-10.01(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-amino-2-benzyl-N-(2,2-dimethylbutyl)-3-hydroxyiminopropanamide

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=NC(=NC(=N1)Cl)N2C=NC=N2

DOS

IR

Vibrations