Geometry & MOs

Info

ID:	382716
PubChem CID:	134974035
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	6.35
IP(EA), eV:	-9.33(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)oct-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C=O)N(C3=NC(=O)N(C(=O)C3=N2)C4=CC=CC=C4)CCOC

DOS

IR

Vibrations