Geometry & MOs

Info

ID:	324948
PubChem CID:	126678890
Reduced:	ON5C14H25 (1)
Stoich.:	AB5C14D25 (1)
Weight, g/mol:	456.167666
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	5.72
IP(EA), eV:	-8.46(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-chloro-3-[(3,6-diamino-2-hydrazinylpyridin-4-yl)oxymethyl]-N-(2-hydroxyethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1COC2=CC(=NC(=C2N)NN)N)C

DOS

IR

Vibrations