Geometry & MOs

Info

ID:	186389
PubChem CID:	77426278
Reduced:	O3N6C28H30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-5.2
Dipole, Da:	6.52
IP(EA), eV:	-9.26(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-1,4,4a,7,8,8a-hexahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=O)C1CNC(=O)C2=C3C=NN(C3=CC(=C2)C4C=CC5=NC(=O)NC5=C4)C(C)C)C

DOS

IR

Vibrations