Geometry & MOs

Info

ID:	387184
PubChem CID:	134984321
Reduced:	O3N6C8H14 (1)
Stoich.:	A3B6C8D14 (1)
Weight, g/mol:	237.122575
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	10.53
IP(EA), eV:	-9.08(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(azepan-1-ylhydrazinylidene)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(/C(=N/NN(CCO)CCO)/N=N1)C(=O)N

DOS

IR

Vibrations