Geometry & MOs

Info

ID:	389877
PubChem CID:	134995710
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	1.94
IP(EA), eV:	-9.34(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yldiazenyl]aniline

Drug info:

PubChemData

Smile

CC(=CCCOOC1(CCCCC1)OC)C

DOS

IR

Vibrations