Geometry & MOs

Info

ID:	297040
PubChem CID:	117606766
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-76.98
Dipole, Da:	10.28
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl]phenol

Drug info:

PubChemData

Smile

CCC1=C/C(=C\2/NNC(N2C3=CC=CC4=C3N=CN4C)O)/C(=O)C=C1OC(=O)C(C)C

DOS

IR

Vibrations