Geometry & MOs

Info

ID:	298652
PubChem CID:	117653543
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	7.64
IP(EA), eV:	-8.35(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-4-[3-[4-(3-hydroxy-2-methylpentan-2-yl)oxy-3-methylphenyl]pentan-3-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1N)N2CCN(CC2)C(=O)O

DOS

IR

Vibrations