Geometry & MOs

Info

ID:	291704
PubChem CID:	113460130
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-0.54
Dipole, Da:	6.65
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(oxolan-2-yl)-1-phenylpentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)CCCN)C2=CC=CC=C2

DOS

IR

Vibrations