Geometry & MOs

Info

ID:	438661
PubChem CID:	135228410
Reduced:	O6N9C36H77 (1)
Stoich.:	A6B9C36D77 (1)
Weight, g/mol:	219.169525
ΔH_f, kcal/mol:	-372.86
Dipole, Da:	3.98
IP(EA), eV:	-9.03(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[amino(hydroxy)methyl]amino]-6-hydroxyhexyl]guanidine

Drug info:

PubChemData

Smile

CCC(NC(CC(C)C)C(NC(CC(C)C)C(NC(CC1CCCCC1)C(N2CCC[C@H]2C(NC(CCCCN=C(N)N)C(N)O)O)O)O)O)O

DOS

IR

Vibrations