Geometry & MOs

Info

ID:	393070
PubChem CID:	135019197
Reduced:	N2O3H28C30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	4.94
IP(EA), eV:	-7.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-7-phenylhept-2-yne-1,6-diol

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C3=CC=CC=C3C4=C2N=C5N4C(=O)C6=C(C7=CC=CC=C75)OC(CC6)(C)C)C

DOS

IR

Vibrations