Geometry & MOs

Info

ID:	320712
PubChem CID:	126662971
Reduced:	O11N12C29H38 (1)
Stoich.:	A11B12C29D38 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-348.55
Dipole, Da:	6.29
IP(EA), eV:	-9.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol

Drug info:

PubChemData

Smile

CC(=O)C(CCCCNC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NC(=O)NC4=C5C(=NC=N4)N(C=N5)C6C(C(C(O6)CO)O)O

DOS

IR

Vibrations