Geometry & MOs

Info

ID:	448924
PubChem CID:	135294535
Reduced:	OSN5C29H45 (1)
Stoich.:	ABC5D29E45 (1)
Weight, g/mol:	199.095691
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	8.99
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-nitro-3-(oxan-4-ylimino)prop-1-en-1-amine

Drug info:

PubChemData

Smile

CCC1CC=C(S1)C(=NC(=O)C2CCCCC2)CCN3[C@@H]4CCC3CC(C4)N5C(=NN=C5C(C)C)C

DOS

IR

Vibrations