Geometry & MOs

Info

ID:	187426
PubChem CID:	77571705
Reduced:	N6O11H32C39 (1)
Stoich.:	A6B11C32D39 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	12.73
IP(EA), eV:	-9.59(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-N-bis(1-methoxyethyl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

COC1(N=C(C2=NCN(C2=N1)C3(C(C(C(O3)CO)(C(=O)C4=CC=CC=C4)O)(C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)N)[N+](=O)[O-]

DOS

IR

Vibrations