Geometry & MOs

Info

ID:	83809
PubChem CID:	49861529
Reduced:	ClN2O2C12H21 (2)
Stoich.:	AB2C2D12E21 (2)
Weight, g/mol:	396.273656
ΔH_f, kcal/mol:	-220.21
Dipole, Da:	8.02
IP(EA), eV:	-8.8(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-4-(4-carbamimidoyl-2-methoxycyclohexyl)oxybut-2-enoxy]-3-methoxycyclohexane-1-carboximidamide

Drug info:

PubChemData

Smile

COC1CC(CCC1OC/C=C/COC2CCC(CC2OC)C3=NCCN3)C4=NCCN4.Cl.Cl

DOS

IR

Vibrations