Geometry & MOs

Info

ID:	290865
PubChem CID:	111367721
Reduced:	O3N5C22H35 (1)
Stoich.:	A3B5C22D35 (1)
Weight, g/mol:	465.17131
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	2.61
IP(EA), eV:	-9.02(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(C1=CC=C(C=C1)C)O)N2CCN(CC2)CC(=O)N3CCOCC3

DOS

IR

Vibrations